SCHEMBL3366138

SCHEMBL3366138

CCN(CC1CC1)N(C(=O)OC(C)(C)C)C(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.42
CHRM3 P20309 1/20 0.34

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
SCHEMBL3362470 0.80 CRHR1 (0.53) CRHR1
SCHEMBL3362969 0.80 CRHR1 (0.46) CRHR1CHRM3
SCHEMBL3364027 0.77 ALPL (0.47) CRHR1
SCHEMBL14206617 0.77 CRHR1 (0.43) CRHR1
SCHEMBL3367449 0.74 CRHR1 (0.46) CRHR1
SCHEMBL3367293 0.74 CRHR1 (0.48) CRHR1
SCHEMBL3362973 0.74 CRHR1 (0.42) CRHR1CHRM3
SCHEMBL3363721 0.74 CRHR1 (0.50) CRHR1
SCHEMBL4699539 0.74 CRHR1 (0.51) CRHR1
Trifluoroacetic Acid SCHEMBL4701873 0.74 CNR1 (0.43) 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
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed