SCHEMBL1907759

SCHEMBL1907759

CC(C)CC(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB10 P40306 7/20 0.41
▸ PSMB2 P49721 5/20 0.41
▸ MASP2 O00187 3/20 0.40
▸ FURIN P09958 1/20 0.38
▸ PSMB5 P28074 1/20 0.37
▸ CPB2 Q96IY4 3/20 0.36
▸ PSMB1 P20618 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 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 1.00 PSMB10 (0.41) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1905957 0.92 PSMB10 (0.39) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1903263 0.91 MASP2 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1903269 0.91 MASP2 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1431979 0.91 PSMB10 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL3140003 0.91 PSMB10 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1431923 0.90 PSMB10 (0.40) PSMB10PSMB2MASP2FURINCPB2
SCHEMBL1431917 0.90 PSMB10 (0.40) PSMB10PSMB2MASP2FURINCPB2
SCHEMBL3141239 0.90 PSMB10 (0.39) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1432775 0.90 PSMB10 (0.39) 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 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
Send feedback