SCHEMBL8893676

SCHEMBL8893676

CCN(CC)C1CCc2cccc(O)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.79
HTR7 P34969 3/20 0.79
DRD2 P14416 2/20 0.79
HTR1D P28221 2/20 0.79
DRD3 P35462 2/20 0.79
CYP1A2 P05177 2/20 0.79
TSHR P16473 2/20 0.79
CYP2D6 P10635 1/20 0.79
HTR1B P28222 1/20 0.79
HTR2A P28223 1/20 0.79
HTR2C P28335 1/20 0.79
ADRA1A P35348 1/20 0.79
ADRA1B P35368 1/20 0.79
HTR2B P41595 1/20 0.79
HTR5A P47898 1/20 0.79
BLM P54132 1/20 0.77
ALDH1A1 P00352 1/20 0.77
LMNA P02545 1/20 0.77
PMP22 Q01453 1/20 0.77
CHRM3 P20309 1/20 0.70

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
SCHEMBL8891873 0.92 HTR1A (0.90) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL29389900 0.88 HTR1A (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL29565039 0.88 HTR1A (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL1682347 0.88 HTR1A (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL496783 0.88 HTR1A (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL1682330 0.88 HTR1A (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL1682286 0.87 BLM (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL1682308 0.87 BLM (1.00) HTR1AHTR7DRD2HTR1DDRD3
8-Oh-Dpat SCHEMBL1682320 0.87 BLM (1.00) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL3806268 0.85 HTR1A (0.62) HTR1AHTR7DRD2HTR1DDRD3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed