SCHEMBL7678022

SCHEMBL7678022

CCN(c1nc(C)cc(C)n1)c1ccc(/C(C)=N/OC)cc1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 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
SCHEMBL7680507 0.81 CRHR1 (0.70) CRHR1
SCHEMBL7685031 0.80 CRHR1 (0.56) CRHR1
SCHEMBL7678025 0.76 CRHR1 (0.43) CRHR1
SCHEMBL7677917 0.74 CRHR1 (0.62) CRHR1
SCHEMBL9046958 0.74 CRHR1 (0.47) CRHR1
SCHEMBL7678546 0.65 CRHR1 (1.00) CRHR1
SCHEMBL7684479 0.62 CRHR1 (0.77) CRHR1
SCHEMBL7685499 0.62 CRHR1 (0.60) CRHR1
SCHEMBL7684615 0.62 CRHR1 (0.75) CRHR1
SCHEMBL7685166 0.61 CRHR1 (0.52) 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