SCHEMBL1906624

SCHEMBL1906624

Nc1ccc(CNC(=O)[C@H](CC2CCCC3CCCCC32)NC(=O)CCCc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ MASP2 O00187 3/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ MMP1 P03956 5/20 0.38
▸ MMP2 P08253 5/20 0.38
▸ MMP3 P08254 5/20 0.38
▸ F10 P00742 1/20 0.38
▸ FURIN P09958 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
SCHEMBL1906627 1.00 F2 (0.40) F2PRSS1MASP2EPHX2MMP1
SCHEMBL1431923 0.87 PSMB10 (0.40) F2MASP2F10FURIN
SCHEMBL1431917 0.87 PSMB10 (0.40) F2MASP2F10FURIN
SCHEMBL1903263 0.86 MASP2 (0.40) F2PRSS1MASP2F10FURIN
SCHEMBL1903269 0.86 MASP2 (0.40) F2PRSS1MASP2F10FURIN
SCHEMBL1908448 0.86 PSMB5 (0.41) F2PRSS1MASP2MMP1
SCHEMBL1908449 0.86 PSMB5 (0.41) F2PRSS1MASP2MMP1
SCHEMBL1908452 0.86 PSMB5 (0.41) F2PRSS1MASP2MMP1
SCHEMBL1907759 0.85 PSMB10 (0.41) MASP2FURIN
SCHEMBL1907760 0.85 PSMB10 (0.41) MASP2FURIN

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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