SCHEMBL7501077

SCHEMBL7501077

CCC(CC)n1cc(C)nc(Nc2c(C)cc(C)cc2C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.47

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
SCHEMBL7507513 0.92 CRHR1 (0.47) CRHR1
SCHEMBL7502332 0.87 CRHR1 (0.45) CRHR1
SCHEMBL7507438 0.87 CRHR1 (0.45) CRHR1
SCHEMBL7495559 0.87
SCHEMBL7502669 0.86 CRHR1 (0.48) CRHR1
SCHEMBL7504144 0.82 CRHR1 (0.45) CRHR1
SCHEMBL7505135 0.81
SCHEMBL7497367 0.80
SCHEMBL7504105 0.80
SCHEMBL5867048 0.80 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927171-B1 PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF DU PONT PHARM CO (US) 2002-02-20 EP claimed
EP-0927171-B1 PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF DU PONT PHARM CO (US) 2002-02-20 EP disclosed
US-6218391-B1 CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS USED IN THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SUCH AS MAJOR DEPRESSION, ANXIETY-RELATED DISORDER, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY DUPONT PHARMACEUTICALS COMPANY 2001-04-17 US disclosed
US-6159980-A Pyrazinones and triazinones and their derivatives thereof DUPONT PHARMACEUTICALS COMPANY (US) 2000-12-12 US disclosed