SCHEMBL7684958

SCHEMBL7684958

Cc1cc(C)c2c(C#N)cn(-c3ccc(C(C)C)cc3Br)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40

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
SCHEMBL7676370 0.89 CRHR1 (0.39) CRHR1
SCHEMBL7680517 0.89 CRHR1 (0.42) CRHR1
SCHEMBL7680741 0.86 CRHR1 (0.39) CRHR1
SCHEMBL7678511 0.86 CRHR1 (0.41) CRHR1
SCHEMBL7681117 0.84 CRHR1 (0.41) CRHR1
SCHEMBL7678313 0.76 CRHR1 (0.44) CRHR1
SCHEMBL1638416 0.75 CRHR1 (0.39) CRHR1
SCHEMBL1638110 0.73 CRHR1 (0.39) CRHR1
SCHEMBL12593315 0.72 CRHR1 (0.41) CRHR1
SCHEMBL7676535 0.70 CRHR1 (0.33) 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