SCHEMBL6929345

SCHEMBL6929345

CCCn1nc(-c2ccc(Cl)cc2Cl)c2nc(CC)n(C(CC)CC)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 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
SCHEMBL6740232 0.79 CRHR1 (0.45) CRHR1
SCHEMBL6742523 0.77 CRHR1 (0.50) CRHR1
SCHEMBL7032138 0.75 CRHR1 (0.46) CRHR1
SCHEMBL6738043 0.74 CRHR1 (0.43) CRHR1
SCHEMBL6738719 0.74
SCHEMBL6927785 0.73 CRHR1 (0.53) CRHR1
SCHEMBL6739299 0.71 CRHR1 (0.43) CRHR1
SCHEMBL7028959 0.70 CRHR1 (0.46) CRHR1
SCHEMBL7035545 0.69
SCHEMBL7036941 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140929-B1 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-10-15 EP disclosed
US-6518271-B1 1H-imidazo[4,5-d]pyridazin-7-one, and corresponding thiones as corticotropin releasing factor (CRF) receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2003-02-11 US disclosed
US-6271380-B1 TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed