SCHEMBL4397700

SCHEMBL4397700

CN(C)c1nccc(N2CCC(CN3C(=O)CN(S(=O)(=O)c4nc5ccc(Cl)cc5[nH]4)CC3C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
KCNH2 Q12809 5/20 0.38
DGAT1 O75907 4/20 0.38
ADORA2A P29274 2/20 0.36
TRPC3 Q13507 1/20 0.35
ACACB O00763 1/20 0.34
CXCR3 P49682 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
PDE10A Q9Y233 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL1384724 0.93 KCNH2 (0.39) F10KCNH2DGAT1ADORA2ATRPC3
SCHEMBL1385672 0.91 F10 (0.41) F10KCNH2DGAT1ADORA2ATRPC3
SCHEMBL1385505 0.89 F10 (0.39) F10KCNH2DGAT1ADORA2ATRPC3
SCHEMBL4385748 0.83 F10 (0.53) F10
SCHEMBL1385845 0.81 KCNH2 (0.46) F10KCNH2ACACB
SCHEMBL1386823 0.80 KCNH2 (0.52) F10KCNH2
SCHEMBL1386449 0.79 KCNH2 (0.39) F10KCNH2ACACB
SCHEMBL1386783 0.78 KCNH2 (0.40) F10KCNH2ACACB
SCHEMBL1384406 0.77 KCNH2 (0.45) F10KCNH2
SCHEMBL1385080 0.77 KCNH2 (0.45) F10KCNH2

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
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed