SCHEMBL3367516

SCHEMBL3367516

CC(C)(O)c1nocc1-c1cccc2c1N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 20/20 0.75
NR1I2 O75469 7/20 0.63

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
SCHEMBL1085036 0.87 BRS3 (0.73) BRS3NR1I2
SCHEMBL1085648 0.86 BRS3 (0.77) BRS3NR1I2
SCHEMBL1085809 0.86 BRS3 (1.00) BRS3NR1I2
SCHEMBL1085505 0.84 BRS3 (0.72) BRS3NR1I2
SCHEMBL1085679 0.82 BRS3 (0.80) BRS3NR1I2
SCHEMBL1085870 0.82 BRS3 (0.87) BRS3NR1I2
SCHEMBL1091739 0.81 BRS3 (0.80) BRS3NR1I2
SCHEMBL1085304 0.81 BRS3 (0.75) BRS3NR1I2
SCHEMBL1085874 0.81 BRS3 (0.69) BRS3NR1I2
SCHEMBL1085523 0.81 BRS3 (0.78) BRS3NR1I2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102201-B1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK SHARP & DOHME (US) 2010-10-13 EP disclosed