SCHEMBL7480974

SCHEMBL7480974

CCC(CC)n1nnc2c(Nc3ccc(C(C)=O)cc3Br)nc(C)nc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
HCAR3 P49019 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8202970 0.93 CRHR1 (0.47) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL7537257 0.80 MEN1 (0.48) CRHR1MEN1KMT2AL3MBTL1RXFP1
SCHEMBL7476716 0.72 CRHR1 (0.59) CRHR1
SCHEMBL7539896 0.72 CRHR1 (0.50) CRHR1MEN1KMT2AL3MBTL1RXFP1
SCHEMBL7534032 0.68 CRHR1 (0.55) CRHR1
SCHEMBL7482514 0.67 MEN1 (0.56) CRHR1MEN1KMT2A
SCHEMBL8194048 0.66 CRHR1 (0.52) CRHR1
SCHEMBL7625566 0.66 CRHR1 (0.49) CRHR1MEN1KMT2A
SCHEMBL7474332 0.66 CRHR1 (0.42) CRHR1
SCHEMBL7620627 0.65 CRHR1 (0.45) CRHR1

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-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP claimed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP claimed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed