SCHEMBL1908006

SCHEMBL1908006

CC(C)NC(=O)NC(CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.41
▸ CPB2 Q96IY4 7/20 0.41
▸ PSMB10 P40306 4/20 0.41
▸ PSMB2 P49721 4/20 0.41
▸ KLKB1 P03952 1/20 0.37
▸ PPIB P23284 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ FURIN P09958 1/20 0.35
▸ CPB1 P15086 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
SCHEMBL1907930 1.00 MASP2 (0.41) MASP2CPB2PSMB10PSMB2KLKB1
SCHEMBL1432229 0.91 MASP2 (0.43) MASP2CPB2PSMB10PSMB2PPIB
SCHEMBL1432232 0.91 MASP2 (0.43) MASP2CPB2PSMB10PSMB2PPIB
SCHEMBL3148239 0.91 MASP2 (0.43) MASP2CPB2PSMB10PSMB2PPIB
SCHEMBL1907759 0.89 PSMB10 (0.41) MASP2CPB2PSMB10PSMB2PSMB5
SCHEMBL1907760 0.89 PSMB10 (0.41) MASP2CPB2PSMB10PSMB2PSMB5
SCHEMBL3147941 0.89 MASP2 (0.42) MASP2CPB2PSMB10PSMB2PSMB5
SCHEMBL1431622 0.89 MASP2 (0.42) MASP2CPB2PSMB10PSMB2PSMB5
SCHEMBL1431619 0.89 MASP2 (0.42) MASP2CPB2PSMB10PSMB2PSMB5
SCHEMBL1903269 0.89 MASP2 (0.40) MASP2CPB2PSMB10PSMB2PPIB

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
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