SCHEMBL1432287

SCHEMBL1432287

CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ KLKB1 P03952 5/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ KLK1 P06870 3/20 0.37
▸ CTSD P07339 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 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
SCHEMBL1433148 0.90 MASP2 (0.39) MASP2BACE1BACE2KLKB1OPRM1
SCHEMBL1907931 0.88 BACE1 (0.40) MASP2BACE1BACE2KLKB1CTSD
SCHEMBL1431704 0.88 MASP2 (0.43) MASP2BACE1BACE2KLKB1NAMPT
SCHEMBL1432280 0.83 KLKB1 (0.49) MASP2KLKB1KLK1
SCHEMBL1431986 0.83 MASP2 (0.42) MASP2BACE1BACE2NAMPTF2
SCHEMBL3145480 0.83 KLKB1 (0.49) MASP2KLKB1KLK1
SCHEMBL1431488 0.81 MALT1 (0.39) MASP2
SCHEMBL1901816 0.81 MASP2 (0.39) MASP2CPB2
SCHEMBL1432381 0.81 KLKB1 (0.39) MASP2BACE1BACE2KLKB1CTSD
SCHEMBL1432596 0.81 MASP2 (0.39) MASP2NAMPT

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