SCHEMBL7678025

SCHEMBL7678025

CCN(c1nc(C)cc(C)n1)c1ccc(CC=NOC)cc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7680509 0.81 CRHR1 (0.61) CRHR1
SCHEMBL7685033 0.80 CRHR1 (0.49) CRHR1
SCHEMBL9046958 0.80 CRHR1 (0.47) CRHR1
SCHEMBL7678022 0.76 CRHR1 (0.47) CRHR1
SCHEMBL7677917 0.73 CRHR1 (0.62) CRHR1
SCHEMBL7685166 0.63 CRHR1 (0.52) CRHR1
SCHEMBL7684498 0.63 CRHR1 (0.54) CRHR1
SCHEMBL9047737 0.62 CRHR1 (0.50) CRHR1
SCHEMBL9045070 0.62 CRHR1 (0.56) CRHR1
SCHEMBL9046216 0.62 CRHR1 (0.63) 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 6 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
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed