SCHEMBL1431986

SCHEMBL1431986

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](N)CCc2ccccc2)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 6/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ F2 P00734 4/20 0.38
▸ F10 P00742 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL1431704 0.91 MASP2 (0.43) MASP2NAMPTBACE1BACE2
SCHEMBL1907931 0.86 BACE1 (0.40) MASP2TRPV1F2F10NAMPT
SCHEMBL1431488 0.85 MALT1 (0.39) MASP2KCNH2
SCHEMBL1432287 0.83 MASP2 (0.39) MASP2F2NAMPTPRSS1BACE1
SCHEMBL1432596 0.82 MASP2 (0.39) MASP2KCNH2NAMPT
SCHEMBL1431982 0.81 MASP2 (0.47) MASP2TRPV1F2F10NAMPT
SCHEMBL3149512 0.81 MASP2 (0.47) MASP2TRPV1F2F10NAMPT
SCHEMBL1431838 0.81 METAP2 (0.39) MASP2KCNH2
SCHEMBL1901816 0.81 MASP2 (0.39) MASP2KCNH2
SCHEMBL1432473 0.79 MASP2 (0.38) MASP2KCNH2NAMPT

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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