SCHEMBL21821322

SCHEMBL21821322

CCN(CCO)C(=O)CC(Nc1nc2cc(CNC(=O)O)ccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB6 P18564 1/20 0.35
▸ ITGB8 P26012 1/20 0.35
▸ SOS1 Q07889 4/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ MTTP P55157 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19283543 0.94 THRB (0.38) TRPV1RAF1SOS1KCNH2
SCHEMBL21821318 0.90 TRPV1 (0.36) TRPV1RAF1ITGA5ITGB6ITGB8
SCHEMBL19283643 0.87 ITGA5 (0.43) TRPV1ITGA5ITGB6ITGB8KCNH2
SCHEMBL19283649 0.82 TRPV1 (0.39) TRPV1CNR2ITGA5ITGB6ITGB8
SCHEMBL19283607 0.81 ITGA5 (0.43) RAF1ITGA5ITGB6ITGB8SOS1
SCHEMBL21821295 0.79 ITGA5 (0.47) RAF1ITGA5ITGB6ITGB8SOS1
SCHEMBL21821294 0.77 ITGA5 (0.42) RAF1ITGA5ITGB6ITGB8SOS1
SCHEMBL19283573 0.77 ITGA5 (0.44) RAF1ITGA5ITGB6ITGB8MAPK14
SCHEMBL21821320 0.76 ITGA5 (0.42) RAF1ITGA5ITGB6ITGB8SOS1
SCHEMBL23522701 0.76 L3MBTL1 (0.44) TRPV1KCNH2L3MBTL1

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-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP claimed
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