SCHEMBL1433112

SCHEMBL1433112

CC(C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1cccc(C(F)(F)F)c1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ CCR2 P41597 9/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL1432256 0.90 CCR2 (0.45) CCR2EHMT2TACR1TRPV1
SCHEMBL1432580 0.90 CCR2 (0.45) CCR2EHMT2TACR1TRPV1
SCHEMBL1432418 0.88 CHRNA1 (0.41) KCNQ2EHMT2TRPV1
SCHEMBL1432565 0.85 EHMT2 (0.45) KCNQ2CCR2EHMT2TACR1TRPV1
SCHEMBL1432142 0.85 EHMT2 (0.46) CCR2EHMT2SCN5ASCN9ATRPV1
SCHEMBL1432382 0.84 F2 (0.40) KCNQ2F2CCR2TACR1
SCHEMBL1431965 0.84 EHMT2 (0.43) KCNQ2CCR2EHMT2
SCHEMBL1431927 0.84 EHMT2 (0.51) CCR2EHMT2
SCHEMBL1432219 0.84 EHMT2 (0.51) CCR2EHMT2
SCHEMBL1432197 0.84 F2 (0.40) KCNQ2F2CCR2

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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