SCHEMBL2201175

SCHEMBL2201175

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCC(N2CCCC2CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
SCN9A Q15858 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MGLL Q99685 1/20 0.38
NOTUM Q6P988 1/20 0.37
CCR5 P51681 1/20 0.37
NPY5R Q15761 1/20 0.37
PDE4D Q08499 2/20 0.36
PDE4B Q07343 1/20 0.36
SPR P35270 2/20 0.36
RECQL P46063 1/20 0.36
MAPK7 Q13164 1/20 0.36

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
SCHEMBL2203381 1.00 KMT2A (0.47) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2201167 1.00 KMT2A (0.47) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2204481 0.95 KMT2A (0.44) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2202694 0.95 KMT2A (0.44) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2198832 0.92 SCN9A (0.39) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2201309 0.92 SCN9A (0.39) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2198840 0.92 SCN9A (0.39) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2201797 0.92 KMT2A (0.48) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2201800 0.92 KMT2A (0.48) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2202721 0.89 KMT2A (0.49) KMT2ASCN9ASCN10AHSD11B1MAPT

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