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SCHEMBL3125673

SCHEMBL3125673

CC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CN(C(=O)c2c(S(C)(=O)=O)cc(OC(F)F)cc2S(C)(=O)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.42
▸ RORC P51449 10/20 0.42
▸ NR1I2 O75469 3/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41

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
SCHEMBL3031598 0.86 CACNA1B (0.53) CACNA1BRORCNR1I2RORARORB
SCHEMBL3125681 0.85 CACNA1B (0.46) CACNA1BRORCNR1I2RORARORB
SCHEMBL3134634 0.80 CACNA1B (0.65) CACNA1BNR1I2CYP3A4
SCHEMBL3036364 0.78 CACNA1B (0.56) CACNA1BNR1I2CYP3A4
SCHEMBL3138449 0.76 CACNA1B (0.45) CACNA1BRORCNR1I2CYP3A4
SCHEMBL3030593 0.76 CACNA1B (0.55) CACNA1BNR1I2CYP3A4
SCHEMBL3030730 0.75 CACNA1B (0.58) CACNA1BNR1I2CYP3A4
SCHEMBL13560483 0.75 CACNA1B (0.41) CACNA1BNR1I2CYP3A4
SCHEMBL3036248 0.74 CACNA1B (0.55) CACNA1BNR1I2CYP3A4
SCHEMBL3035331 0.73 CACNA1B (0.52) CACNA1BRORCNR1I2RORARORB

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