SCHEMBL1905957

SCHEMBL1905957

CCC(C)CC(=O)NC(CC1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSMB10 P40306 8/20 0.39
▸ PSMB2 P49721 6/20 0.39
▸ MASP2 O00187 3/20 0.39
▸ FURIN P09958 1/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34
▸ CPB1 P15086 2/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMB8 P28062 1/20 0.34

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
SCHEMBL1907760 0.92 PSMB10 (0.41) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1907759 0.92 PSMB10 (0.41) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1903269 0.91 MASP2 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1903263 0.91 MASP2 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1431923 0.88 PSMB10 (0.40) PSMB10PSMB2MASP2FURINCPB2
SCHEMBL1431917 0.88 PSMB10 (0.40) PSMB10PSMB2MASP2FURINCPB2
SCHEMBL1432775 0.87 PSMB10 (0.39) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL3141239 0.87 PSMB10 (0.39) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1432229 0.87 MASP2 (0.43) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1432232 0.87 MASP2 (0.43) PSMB10PSMB2MASP2FURINPSMB5

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