SCHEMBL7534580

SCHEMBL7534580

CCC(CC)n1nnc2c(Nc3c(Br)cc(OC)cc3OC)nc(C)cc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.56
GRM2 Q14416 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
SCHEMBL8204328 0.93 CRHR1 (0.51) CRHR1
SCHEMBL7618498 0.92 CRHR1 (0.50) CRHR1GRM2
SCHEMBL7535444 0.89 CRHR1 (0.58) CRHR1
SCHEMBL8202276 0.82 CRHR1 (0.53) CRHR1
SCHEMBL7626666 0.81 CRHR1 (0.56) CRHR1
SCHEMBL8202582 0.80 CRHR1 (0.48) CRHR1
SCHEMBL5866990 0.77 CRHR1 (0.66) CRHR1
SCHEMBL7534032 0.72 CRHR1 (0.55) CRHR1
SCHEMBL16606733 0.72 CRHR1 (1.00) CRHR1
SCHEMBL7222281 0.71 CRHR1 (0.66) CRHR1GRM2

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