SCHEMBL21821318

SCHEMBL21821318

CCN(Cc1ccc2[nH]c(NC(CC(=O)N(CC)CCO)c3cccc(C(F)(F)F)c3)nc2c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.36
▸ ITGA5 P08648 1/20 0.35
▸ ITGB6 P18564 1/20 0.35
▸ ITGB8 P26012 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SOS1 Q07889 3/20 0.35
▸ PTGES O14684 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PYGL P06737 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
SCHEMBL21821322 0.90 TRPV1 (0.36) TRPV1ITGA5ITGB6ITGB8KCNH2
SCHEMBL19283643 0.88 ITGA5 (0.43) TRPV1ITGA5ITGB6ITGB8KCNH2
SCHEMBL19283543 0.87 THRB (0.38) TRPV1KCNH2SOS1RAF1
SCHEMBL19283649 0.81 TRPV1 (0.39) TRPV1ITGA5ITGB6ITGB8KCNH2
SCHEMBL19283607 0.81 ITGA5 (0.43) ITGA5ITGB6ITGB8MEN1KMT2A
SCHEMBL21821295 0.80 ITGA5 (0.47) ITGA5ITGB6ITGB8SOS1MAPK14
SCHEMBL19283573 0.77 ITGA5 (0.44) ITGA5ITGB6ITGB8MAPK14RAF1
SCHEMBL21821320 0.77 ITGA5 (0.42) ITGA5ITGB6ITGB8MEN1KMT2A
SCHEMBL21821294 0.76 ITGA5 (0.42) ITGA5ITGB6ITGB8MEN1KMT2A
SCHEMBL23522701 0.75 L3MBTL1 (0.44) TRPV1MEN1KMT2AKCNH2L3MBTL1

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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