SCHEMBL6657635

SCHEMBL6657635

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.76
▸ NAMPT P43490 1/20 0.71
▸ ABL1 P00519 7/20 0.67
▸ GAA P10253 1/20 0.67
▸ KMT2A Q03164 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ NPC1 O15118 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ EPHX2 P34913 1/20 0.61
▸ OPRM1 P35372 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60

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
SCHEMBL11629326 0.85 GAA (0.67) TRPV1NAMPTABL1GAAKMT2A
SCHEMBL2562031 0.84 TRPV1 (0.75) TRPV1NAMPTABL1KMT2AHTT
SCHEMBL2914329 0.84 TRPV1 (0.74) TRPV1NAMPTABL1KMT2AHTT
SCHEMBL20379842 0.84 NAMPT (1.00) NAMPT
SCHEMBL23657648 0.83 TRPV1 (0.78) TRPV1NAMPTABL1KMT2AHTT
Iodide SCHEMBL30758578 0.83 TRPV1 (0.73) TRPV1NAMPTABL1KMT2AHTT
SCHEMBL5539768 0.83 TRPV1 (0.78) TRPV1NAMPTABL1KMT2AHTT
SCHEMBL6122991 0.83 ABL1 (0.76) TRPV1ABL1KMT2ASMN1; SMN2NPC1
SCHEMBL8298025 0.82 GAA (0.79) TRPV1GAAHTTNPC1RAB9A
SCHEMBL677496 0.82 TRPV1 (0.76) TRPV1NAMPTABL1KMT2AHTT

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-1432419-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2004-06-30 — — EP disclosed
WO-2003022276-A1 ARYL SUBSTITUTED PYRIDINECARBOXAMIDES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2003-03-20 — — WO disclosed
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