SCHEMBL5773451

SCHEMBL5773451

Cc1nc(N(C)Cc2ccco2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.56
CYP1A2 P05177 18/20 0.44
CYP2C19 P33261 17/20 0.44
CYP2D6 P10635 16/20 0.44
CYP3A4 P08684 16/20 0.44
CLK4 Q9HAZ1 13/20 0.44
TSHR P16473 11/20 0.44
HSD17B10 Q99714 9/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 11/20 0.44
LMNA P02545 10/20 0.44
USP2 O75604 8/20 0.44
MAPK1 P28482 4/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
GLA P06280 3/20 0.43

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
SCHEMBL5777606 0.76 ABCB1 (0.39) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL8126898 0.76 IGF1R (0.39) NPY5RCLK4HSD17B10ALDH1A1LMNA
SCHEMBL5777863 0.75 NPY5R (0.48) NPY5RHSD17B10ALDH1A1LMNAMAPT
SCHEMBL5773457 0.72 NPY5R (1.00) NPY5RCYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL5776191 0.70 KDM4E (0.40) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL5775603 0.70 ADORA3 (0.50) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL1733562 0.68 KDM4E (0.59) NPY5RCYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL5775434 0.68 NPY5R (0.39) NPY5RCYP1A2TSHRHSD17B10ALDH1A1
SCHEMBL5771758 0.68 ADORA2A (0.48) NPY5RHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL5774543 0.68 ADORA1 (0.48) HSD17B10ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed