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SCHEMBL3264873

SCHEMBL3264873

CC(CC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 17/20 0.48
▸ NR1I2 O75469 6/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ PRKAA2 P54646 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37

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
SCHEMBL3137183 0.94 CACNA1B (0.44) CACNA1BNR1I2CYP3A4MGLL
SCHEMBL3138741 0.92 CACNA1B (0.44) CACNA1BNR1I2CYP3A4
SCHEMBL3264874 0.86 CACNA1B (0.48) CACNA1BNR1I2CYP3A4
SCHEMBL3133592 0.84 CACNA1B (0.57) CACNA1BNR1I2CYP3A4
SCHEMBL3035302 0.84 CACNA1B (0.57) CACNA1BNR1I2CYP3A4PRKAA2
SCHEMBL3030389 0.79 CACNA1B (0.75) CACNA1BNR1I2CYP3A4
SCHEMBL3046562 0.79 CACNA1B (0.75) CACNA1BNR1I2CYP3A4
SCHEMBL3040641 0.79 CACNA1B (0.51) CACNA1BNR1I2CYP3A4
SCHEMBL3125652 0.79 CACNA1B (0.43) CACNA1BNR1I2CYP3A4
SCHEMBL3123172 0.79 CACNA1B (0.43) CACNA1BNR1I2CYP3A4MGLL

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-2205083-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed