SCHEMBL7677752

SCHEMBL7677752

CCN(c1nc(C)cc(C)n1)c1c(C#N)csc1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.41
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7687796 0.81 CRHR1 (0.46) CRHR1
SCHEMBL7680889 0.80 CRHR1 (0.55) CRHR1
SCHEMBL7687167 0.78 CRHR1 (0.44) CRHR1
SCHEMBL7684631 0.77 CRHR1 (0.49) CRHR1
SCHEMBL7681108 0.76 CRHR1 (0.58) CRHR1
SCHEMBL7682033 0.76 CRHR1 (0.42) CRHR1
SCHEMBL7678556 0.74 CRHR1 (0.45) CRHR1HTTALDH1A1
SCHEMBL7680766 0.74 CRHR1 (0.48) CRHR1
SCHEMBL7681022 0.73 CRHR1 (0.40) CRHR1HTTALDH1A1
SCHEMBL7684489 0.71 KMT2A (0.43) CRHR1HTTALDH1A1MAPT

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
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