SCHEMBL1431704

SCHEMBL1431704

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](N)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.43
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ NLN Q9BYT8 1/20 0.37

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
SCHEMBL1431488 0.94 MALT1 (0.39) MASP2MALT1MMP2NLN
SCHEMBL1431986 0.91 MASP2 (0.42) MASP2BACE1BACE2NAMPT
SCHEMBL1907931 0.91 BACE1 (0.40) MASP2BACE1BACE2NAMPTCPB2
SCHEMBL1432287 0.88 MASP2 (0.39) MASP2BACE1BACE2NAMPTCPB2
SCHEMBL1431762 0.87 MASP2 (0.43) MASP2BACE1BACE2MALT1MMP2
SCHEMBL1432596 0.83 MASP2 (0.39) MASP2NAMPT
SCHEMBL3153403 0.83 MASP2 (0.45) MASP2NAMPTNLN
SCHEMBL3154431 0.83 MASP2 (0.56) MASP2MMP2NAMPTCPB2NLN
SCHEMBL1431838 0.82 METAP2 (0.39) MASP2CPB2KLKB1
SCHEMBL1901816 0.82 MASP2 (0.39) MASP2CPB2

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
Send feedback