SCHEMBL5775086

SCHEMBL5775086

CCN(CC)c1nc(C)[nH]c2cc(-c3ccc(C)cc3)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.37
ADORA3 P0DMS8 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RAD51 Q06609 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL5777863 0.89 NPY5R (0.48) NPY5RADORA3MEN1KMT2AADORA1
SCHEMBL5775434 0.78 NPY5R (0.39) NPY5RADORA3MEN1KMT2AADORA1
SCHEMBL5770748 0.76 MEN1 (0.43) ADORA3MEN1KMT2AKDM4EALDH1A1
SCHEMBL5775897 0.76 MEN1 (0.45) ADORA3RAD51MEN1KMT2AKDM4E
SCHEMBL5777606 0.68 ABCB1 (0.39) ADORA3MEN1KMT2AADORA1KDM4E
SCHEMBL5772706 0.67 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL7176036 0.67 KMT2A (0.45) NPY5RADORA3MEN1KMT2AADORA1
SCHEMBL5776191 0.66 KDM4E (0.40) ADORA3MEN1KMT2AADORA1KDM4E
SCHEMBL8616876 0.66 MEN1 (0.47) ADORA3MEN1KMT2AADORA1KDM4E
SCHEMBL5775603 0.66 ADORA3 (0.50) ADORA3MEN1KMT2AADORA1KDM4E

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