SCHEMBL7684608

SCHEMBL7684608

CCN(c1nc(C)cc(C)n1)c1ccc(OC)nc1Br

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.65
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL7678150 0.74 CRHR1 (0.61) CRHR1
SCHEMBL7684615 0.73 CRHR1 (0.75) CRHR1
SCHEMBL7684974 0.73 CRHR1 (0.63) CRHR1
SCHEMBL7684356 0.73 CRHR1 (0.49) CRHR1HCRTR1HCRTR2
SCHEMBL27475407 0.72 CRHR1 (0.51) CRHR1
SCHEMBL8044455 0.72 CRHR1 (0.76) CRHR1
SCHEMBL7682363 0.72 CRHR1 (0.65) CRHR1
SCHEMBL7680552 0.70 CRHR1 (0.67) CRHR1
SCHEMBL7689380 0.70 CRHR1 (0.65) CRHR1
SCHEMBL7681098 0.70 CRHR1 (1.00) 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
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