SCHEMBL2200534

SCHEMBL2200534

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CC(C)C(O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD11B1 P28845 1/20 0.38
MGLL Q99685 1/20 0.37
MAPK7 Q13164 4/20 0.37
CCKAR P32238 1/20 0.36
OPRM1 P35372 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2202438 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2202431 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2200532 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2200538 1.00 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201986 0.92 KMT2A (0.48) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201984 0.92 KMT2A (0.48) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201989 0.92 KMT2A (0.48) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201691 0.92 SCN9A (0.41) SCN9ASCN10AKMT2ANOTUMKDM4E
SCHEMBL2201966 0.89 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1
SCHEMBL2201426 0.89 SCN9A (0.40) SCN9ASCN10AKMT2ANOTUMHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed