SCHEMBL12697474

SCHEMBL12697474

C[C@@H](NC(=O)c1coc(Oc2cc(C(F)(F)F)ccc2Cl)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
PDE2A O00408 12/20 0.39
TRPV1 Q8NER1 5/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL1660065 1.00 SCN9A (0.40) SCN9APDE2ATRPV1KCNQ3KCNQ2
SCHEMBL12604721 0.91 PDE2A (0.39) PDE2ATRPV1KCNQ3KCNQ2
SCHEMBL12563383 0.88 PDE2A (0.44) SCN9APDE2A
SCHEMBL12604750 0.88 TRPV1 (0.42) PDE2ATRPV1KCNQ3KCNQ2
SCHEMBL1659587 0.88 TRPV1 (0.42) PDE2ATRPV1KCNQ3KCNQ2
SCHEMBL1987976 0.88 PDE2A (0.41) PDE2ATRPV1KCNQ3KCNQ2
SCHEMBL12603600 0.88 PDE2A (0.41) PDE2ATRPV1KCNQ3KCNQ2
SCHEMBL12604677 0.88 PDE2A (0.44) PDE2AKCNQ3KCNQ2
SCHEMBL1988302 0.88 PDE2A (0.44) PDE2AKCNQ3KCNQ2
SCHEMBL13513811 0.86 KCNQ3 (0.40) PDE2ATRPV1KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed