SCHEMBL5501607

SCHEMBL5501607

CC(C)(C)C(N)C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1I

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 20/20 0.54
NR1I2 O75469 10/20 0.54
CYP3A4 P08684 1/20 0.51

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
SCHEMBL5499241 0.87 CACNA1B (0.49) CACNA1BNR1I2CYP3A4
SCHEMBL5504326 0.86 CACNA1B (0.48) CACNA1BNR1I2CYP3A4
SCHEMBL4283326 0.86 CACNA1B (0.67) CACNA1BNR1I2CYP3A4
SCHEMBL4282316 0.86 CACNA1B (0.67) CACNA1BNR1I2CYP3A4
SCHEMBL3961603 0.77 CACNA1B (0.54) CACNA1BNR1I2CYP3A4
SCHEMBL4278395 0.77 CACNA1B (0.67) CACNA1BNR1I2CYP3A4
SCHEMBL4278393 0.77 CACNA1B (0.67) CACNA1BNR1I2CYP3A4
SCHEMBL4278375 0.75 CACNA1B (0.59) CACNA1BNR1I2CYP3A4
SCHEMBL4283315 0.75 CACNA1B (0.61) CACNA1BNR1I2CYP3A4
SCHEMBL4283313 0.75 CACNA1B (0.61) CACNA1BNR1I2CYP3A4

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-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO disclosed