SCHEMBL7684934

SCHEMBL7684934

Cc1nc(Cl)c2ncn(-c3ccc(C(C)C)cc3Br)c2n1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.69

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
SCHEMBL7681781 0.79 CRHR1 (0.62) CRHR1
SCHEMBL7485170 0.79 CRHR1 (0.69) CRHR1
SCHEMBL23436467 0.71 XDH (0.40) CRHR1
SCHEMBL6095699 0.71 CRHR1 (0.63) CRHR1
SCHEMBL5495611 0.70 CRHR1 (0.49) CRHR1
SCHEMBL7676337 0.68 CRHR1 (0.43) CRHR1
SCHEMBL7678114 0.68 CRHR1 (0.43) CRHR1
SCHEMBL7676384 0.66 CRHR1 (0.46) CRHR1
SCHEMBL17615377 0.66 CDK2 (0.50)
SCHEMBL23903368 0.65 CRHR1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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