SCHEMBL4862690

SCHEMBL4862690

NS(=O)(=O)c1cccc(C(F)(F)F)c1C1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
P2RX4 Q99571 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA7 P36544 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL2420847 0.84 PNMT (0.43) PNMTMEN1KMT2ASCN9APTGES2
SCHEMBL15575195 0.76 ALOX15 (0.37) P2RX4CA2CA12CA1CA4
SCHEMBL30911354 0.74 PTGES2 (0.38) PNMTMEN1KMT2ASCN9APTGES2
SCHEMBL4617759 0.73 CHRNA7 (0.38) P2RX4CA2CHRNA7
SCHEMBL20380077 0.73 CA1 (0.39) P2RX4KMT2APTGES2CA2CA12
SCHEMBL29418255 0.68 MEN1 (0.56) MEN1KMT2APTGES2CA2CA12
SCHEMBL302570 0.68 MEN1 (0.56) MEN1KMT2APTGES2CA2CA12
SCHEMBL1336440 0.68 HTR2A (0.48) PNMTMEN1KMT2ASCN9ACHRNB2
SCHEMBL2777793 0.67 CA2 (0.47) MEN1KMT2APTGES2CA2CA12
SCHEMBL2512044 0.67 CA2 (0.46) MEN1KMT2APTGES2CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008516917-A 2008-05-22 JP claimed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP claimed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO claimed
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