SCHEMBL1901038

SCHEMBL1901038

C[C@@H](C(=O)NCC(C(=O)NCc1ccc(N)nc1)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
NAMPT P43490 1/20 0.39
EPHX2 P34913 1/20 0.39
CPB2 Q96IY4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 2/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1905450 0.88 MASP2 (0.43) MASP2NAMPTBACE1CARM1PRMT6
SCHEMBL1431844 0.88 MASP2 (0.45) MASP2NAMPTBACE1CARM1PRMT6
SCHEMBL1901851 0.86 MASP2 (0.41) MASP2NAMPTMEN1KMT2ABACE1
SCHEMBL1901410 0.85 MASP2 (0.41) MASP2NAMPTCPB2BACE1HDAC1
SCHEMBL1904477 0.85 MASP2 (0.42) MASP2NAMPTCARM1PRMT6HDAC1
SCHEMBL1432468 0.82 CYP3A4 (0.42) MASP2NAMPTCARM1PRMT6HDAC1
SCHEMBL4303211 0.78 NAMPT (0.46) MASP2NAMPTEPHX2CARM1PRMT6
SCHEMBL1902783 0.72 MASP2 (0.41) MASP2NAMPTCPB2BACE1HDAC1
SCHEMBL1900464 0.72 MASP2 (0.41) MASP2NAMPTMEN1KMT2ABACE1
SCHEMBL1907939 0.72 METAP2 (0.37) BACE1CARM1PRMT6HDAC1

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed