SCHEMBL7680741

SCHEMBL7680741

Cc1cc(-c2ccccc2)nc2c1c(C#N)cn2-c1ccc(C(C)C)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CSNK2A1 P68400 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7684958 0.86 CRHR1 (0.40) CRHR1
SCHEMBL7678511 0.84 CRHR1 (0.41) CRHR1ALDH1A1
SCHEMBL7680517 0.80 CRHR1 (0.42) CRHR1
SCHEMBL7684542 0.79 CRHR1 (0.43) CRHR1
SCHEMBL7681117 0.75 CRHR1 (0.41) CRHR1
SCHEMBL7678441 0.67 CRHR1 (0.42) CRHR1
SCHEMBL7676535 0.66 CRHR1 (0.33) CRHR1
SCHEMBL23903368 0.66 CRHR1 (0.42) CRHR1
SCHEMBL1638416 0.65 CRHR1 (0.39) CRHR1
SCHEMBL7680362 0.65 CRHR1 (0.36) 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 2 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