SCHEMBL12697481

SCHEMBL12697481

C[C@@H](NC(=O)c1coc(Oc2cccc(Cl)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
TRPV1 Q8NER1 3/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
PTGER2 P43116 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SCN9A Q15858 1/20 0.36
MME P08473 2/20 0.35
KLKB1 P03952 1/20 0.35
P2RX4 Q99571 1/20 0.35
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
ROCK2 O75116 1/20 0.34
PDE2A O00408 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
SCHEMBL1987453 1.00 PTGER4 (0.40) PTGER4TRPV1KCNQ3KCNQ2KCNQ4
SCHEMBL1986290 0.91 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL1985908 0.91 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12603598 0.91 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12603590 0.91 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12603906 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL1990614 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL12697355 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5SCN9A
SCHEMBL1660613 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1
SCHEMBL12605014 0.88 KCNQ3 (0.38) KCNQ3KCNQ2KCNQ4KCNQ5KLKB1

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