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SCHEMBL3136127

SCHEMBL3136127

CC(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2S(=O)(=O)C2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 19/20 0.50
▸ CYP3A4 P08684 3/20 0.47
▸ NR1I2 O75469 10/20 0.46
▸ CHRM2 P08172 1/20 0.40

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
SCHEMBL3030478 0.88 CACNA1B (0.65) CACNA1BCYP3A4NR1I2CHRM2
SCHEMBL3040070 0.88 CACNA1B (0.65) CACNA1BCYP3A4NR1I2CHRM2
SCHEMBL3136132 0.85 CACNA1B (0.52) CACNA1BCYP3A4NR1I2CHRM2
SCHEMBL3026739 0.85 CACNA1B (0.64) CACNA1BCYP3A4NR1I2
SCHEMBL3138330 0.82 CACNA1B (0.58) CACNA1BCYP3A4NR1I2
SCHEMBL3126324 0.80 CACNA1B (0.47) CACNA1BCYP3A4NR1I2
SCHEMBL3126273 0.79 CACNA1B (0.58) CACNA1BCYP3A4NR1I2
SCHEMBL13634970 0.77 CACNA1B (0.62) CACNA1BCYP3A4NR1I2
SCHEMBL3044960 0.77 CACNA1B (0.54) CACNA1BCYP3A4NR1I2
SCHEMBL3025669 0.76 CACNA1B (0.71) CACNA1BCYP3A4NR1I2

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 disclosed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO disclosed