SCHEMBL7680508

SCHEMBL7680508

CCOC(O)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.72

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
SCHEMBL7687264 0.88 CRHR1 (0.79) CRHR1
SCHEMBL7678011 0.84 CRHR1 (0.81) CRHR1
SCHEMBL7676550 0.84 CRHR1 (0.79) CRHR1
SCHEMBL7680501 0.81 CRHR1 (0.64) CRHR1
SCHEMBL7678298 0.81 CRHR1 (0.74) CRHR1
SCHEMBL7681078 0.80 CRHR1 (0.70) CRHR1
SCHEMBL7676328 0.79 CRHR1 (0.66) CRHR1
SCHEMBL7680481 0.79 CRHR1 (0.70) CRHR1
SCHEMBL7684872 0.78 CRHR1 (0.68) CRHR1
SCHEMBL7680317 0.78 CRHR1 (0.69) 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
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US claimed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO claimed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed