SCHEMBL14879092

SCHEMBL14879092

C#Cc1cc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc(F)c1N[Si](=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
MAOB P27338 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
SCHEMBL2955253 0.85 TRPV1 (0.44) TRPV1
SCHEMBL4194230 0.85 TRPV1 (0.44) TRPV1
SCHEMBL12912734 0.78 LMNA (0.49) EPHX2NR1H4LMNATP53TRPV1
SCHEMBL1998560 0.77 TRPV1 (0.50) TRPV1
SCHEMBL1998558 0.77 TRPV1 (0.50) TRPV1
SCHEMBL2002139 0.74
SCHEMBL2002137 0.74
SCHEMBL3785742 0.74 TRPV1 (0.40) TRPV1
SCHEMBL3783130 0.74 TRPV1 (0.40) TRPV1
SCHEMBL2004075 0.73

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-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed