SCHEMBL7676535

SCHEMBL7676535

Cc1ccc2c(C#N)cn(-c3ccc(C(C)C)cc3Br)c2[n+]1[O-]

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.33

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
SCHEMBL7681117 0.76 CRHR1 (0.41) CRHR1
SCHEMBL7684958 0.70 CRHR1 (0.40) CRHR1
SCHEMBL7680517 0.69 CRHR1 (0.42) CRHR1
SCHEMBL7680741 0.66 CRHR1 (0.39) CRHR1
SCHEMBL7678511 0.66 CRHR1 (0.41) CRHR1
SCHEMBL7680362 0.65 CRHR1 (0.36) CRHR1
SCHEMBL13097696 0.65 CRHR1 (0.40) CRHR1
SCHEMBL24352667 0.62 MCL1 (0.39) CRHR1
SCHEMBL14549022 0.60 LMNA (0.47)
SCHEMBL16743115 0.58 IMPDH2 (0.56)

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