SCHEMBL7534738

SCHEMBL7534738

CCC(COC)n1nnc2c(Nc3c(C)cc(Br)cc3C)nc(C)nc21

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.49

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
SCHEMBL8202018 0.92 CRHR1 (0.56) CRHR1
SCHEMBL21886137 0.90 CRHR1 (0.52) CRHR1
SCHEMBL7475973 0.88 CRHR1 (0.46) CRHR1
SCHEMBL8203092 0.87 CRHR1 (0.58) CRHR1
SCHEMBL7483912 0.87 CRHR1 (0.51) CRHR1
SCHEMBL8202582 0.84 CRHR1 (0.48) CRHR1
SCHEMBL7480702 0.82 CRHR1 (0.52) CRHR1
SCHEMBL21886412 0.81 CRHR1 (0.60) CRHR1
SCHEMBL21886149 0.79 CRHR1 (0.58) CRHR1
SCHEMBL21886413 0.79 CRHR1 (0.58) 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 4 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-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed