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Sugi Predict / Compounds / SCHEMBL844523

SCHEMBL844523

SCHEMBL844523

CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 1.00
▸ HTR6 P50406 2/20 1.00
▸ HTR5A P47898 1/20 1.00
▸ CYP2D6 P10635 5/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ CYP3A4 P08684 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ TSHR P16473 3/20 0.72
▸ TDP1 Q9NUW8 3/20 0.72
▸ LMNA P02545 3/20 0.72
▸ USP2 O75604 2/20 0.72
▸ TP53 P04637 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ RGS12 O14924 2/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ HTR1A P08908 2/20 0.72
▸ ADRA2A P08913 2/20 0.72
▸ DRD2 P14416 2/20 0.72
▸ ADRA2B P18089 2/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14246888 0.92 HTR7 (0.85) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL184130 0.92 HTR7 (0.85) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL9135926 0.87 HTR7 (0.77) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL9135922 0.87 HTR7 (0.77) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL9135919 0.87 HTR7 (0.77) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL10677162 0.86 HTR7 (0.76) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL10677155 0.86 HTR7 (0.76) HTR7HTR6HTR5ACYP2D6MEN1
SCHEMBL10677158 0.86 HTR7 (0.76) HTR7HTR6HTR5ACYP2D6MEN1
Acetergamine SCHEMBL11330946 0.86 HTR7 (0.74) HTR7HTR6HTR5ACYP2D6MEN1
Acetergamine SCHEMBL1846020 0.86 HTR7 (0.74) HTR7HTR6HTR5ACYP2D6MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890898-B2 Inhibiting the dipeptidylpeptidase proteolysis of Glucagon-like peptide, by administering a dipeptides consisting Pro-Pro, Ala-Pro, and (D)-Ala-(L)-Ala; treating metabolism disorders, diabetes, obesity, atherosclerosis TRUSTEES OF TUFTS COLLEGE (US) 2005-05-10 — — US claimed
EP-1520582-A2 Use of dipeptidylpetidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2005-04-06 — — EP claimed
US-4151283-A 6-Methyl-and 1,6-dimethyl-8β-carbobenzyloxy-aminomethyl-10α-ergoline as inhibitors of prolactin secretion SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-04-24 — — US claimed
EP-2583675-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2013-04-24 — — EP disclosed
EP-2574336-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism TRUSTEES OF TUFTS COLLEGE (US) 2013-04-03 — — EP disclosed
EP-2433623-A1 Use of dipeptidylpeptidase inhibitors to regulate glucose metabolism Trustees Of Tufts College (US) 2012-03-28 — — EP disclosed
EP-0917874-B1 Process for the long term reduction of body fat stores, insulin resistance, hyperinsulinemia and hypoglycemia in vertebrates UNIV LOUISIANA STATE (US) 2008-04-09 — — EP disclosed
US-6004972-A ADMINISTERING DOPAMINERGIC AGENT SUCH AS BROMOCRIPTINE; RESETTING CIRCADIAN RHYTHYMS IN NERVOUS SYSTEM; INCREASING INSULIN SENSITIVITY TO TREAT OBESITY THE BOARD OF SUPERVISIORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-12-21 — — US disclosed
EP-0917874-A1 Process for the long term reduction of body fat stores, insulin resistance, hyperinsulinemia and hypoglycemia in vertebrates LOUISIANA STATE UNIVERSITY AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-05-26 — — EP disclosed
US-5866584-A ADMINISTRATION OF A DOPAMINE AGONIST, OVER A LIMITED PERIOD AT A TIME OF DAY DEPENDENT ON THE NORMAL CIRCADIAN RHYTHM OF INSULIN RESISTANT AND INSULIN SENSITIVE MEMBERS OF A SIMILAR SPECIES. THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-02-02 — — US disclosed
EP-0440333-B1 Use of prolactin-inhibiting compounds for resetting the prolactin circadian rhythm UNIV LOUISIANA STATE (US) 1998-12-23 — — EP disclosed
US-5756513-A ADJUSTMENT OF THE PROLACTIN CYCLE THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-05-26 — — US disclosed
US-5716962-A TREATING HYPERGLYCEMIA AND HYPERINSULINEMIA THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1998-02-10 — — US disclosed
US-5468755-A Therapeutic process for the treatment of the pathologies of Type II diabetes THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1995-11-21 — — US disclosed
EP-0440333-A2 Dopamine agonists for treating type II diabetes LOUISIANA STATE UNIVERSITY AGRICULTURAL AND MECHANICAL COLLEGE (US) 1991-08-07 — — EP disclosed
US-4749709-A ADMINISTERING 2-BROMO-A-ERGOCRYPTINE TO VERTEBRATES; NO WEIGHT LOSS LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1988-06-07 — — US disclosed
US-4659715-A ADMINISTERING PROLACTIN-IHIBITOR LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1987-04-21 — — US disclosed
US-4151283-A 6-Methyl-and 1,6-dimethyl-8β-carbobenzyloxy-aminomethyl-10α-ergoline as inhibitors of prolactin secretion SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-04-24 — — US disclosed
US-4151283-A 6-Methyl-and 1,6-dimethyl-8β-carbobenzyloxy-aminomethyl-10α-ergoline as inhibitors of prolactin secretion SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-04-24 — — US disclosed