SCHEMBL22809529

SCHEMBL22809529

Cc1cc(C(=O)NCCOc2ccccc(C(F)(F)F)cccn2)cc(NC(=O)C(C)(C)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
GPR52 Q9Y2T5 2/20 0.38
POLB P06746 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
KMT2A Q03164 3/20 0.37
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR5 P51681 1/20 0.35
TP53BP1 Q12888 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 1/20 0.35
PPARD Q03181 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
SCHEMBL22798208 0.83 SCN9A (0.49) SCN9AGPR52
SCHEMBL22798292 0.80 SCN9A (0.45) SCN9AGPR52POLBRAB9AKMT2A
SCHEMBL22797748 0.75 SCN9A (0.56) SCN9APPARD
SCHEMBL30449736 0.75 SCN9A (0.56) SCN9APPARD
SCHEMBL22798305 0.75 SCN9A (0.56) SCN9APOLBRAB9ANPC1CASP3
SCHEMBL2717414 0.74 SCN9A (0.39) SCN9ARAB9ANPC1
SCHEMBL2718365 0.74 EPHX2 (0.42) SCN9A
SCHEMBL30450047 0.74 SCN9A (0.51) SCN9AGPR52
SCHEMBL22797814 0.74 SCN9A (0.51) SCN9AGPR52
SCHEMBL2715644 0.73 EPHX2 (0.53) SCN9A

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
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed