SCHEMBL1432473

SCHEMBL1432473

CN[C@@H](C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(Cl)c(Cl)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ FURIN P09958 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ CPB2 Q96IY4 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
SCHEMBL1901816 0.89 MASP2 (0.39) MASP2TSHRF7FURINCYP3A4
SCHEMBL1432133 0.88 MASP2 (0.40) MASP2NAMPT
SCHEMBL1432596 0.86 MASP2 (0.39) MASP2TSHRFURINKCNH2NAMPT
SCHEMBL1432545 0.86 NAMPT (0.44) MASP2NPSR1NAMPT
SCHEMBL1431488 0.81 MALT1 (0.39) MASP2KCNH2
SCHEMBL1431704 0.81 MASP2 (0.43) MASP2NAMPTCPB2
SCHEMBL1907931 0.81 BACE1 (0.40) MASP2NAMPTCPB2
SCHEMBL3154110 0.80 KLKB1 (0.42) MASP2NPSR1TSHRF7FURIN
SCHEMBL1432471 0.80 KLKB1 (0.42) MASP2NPSR1TSHRF7FURIN
SCHEMBL1432287 0.80 MASP2 (0.39) MASP2NAMPTCPB2

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 claimed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO claimed
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