SCHEMBL1901133

SCHEMBL1901133

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](O)Cc2ccccc2)C2CCCC3CCCCC32)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ F2 P00734 6/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ F10 P00742 3/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CPB1 P15086 2/20 0.35
▸ PPIB P23284 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ FCER2 P06734 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL1432135 0.89 MASP2 (0.39) MASP2F2PRSS1F10NAMPT
SCHEMBL1432234 0.85 MASP2 (0.42) MASP2F2PRSS1F10NAMPT
SCHEMBL1906629 0.85 HPGD (0.39) MASP2F2PRSS1ALDH1A1LMNA
SCHEMBL1432698 0.84 DPP4 (0.38) MASP2CPB1
SCHEMBL1431623 0.83 MASP2 (0.41) MASP2F2PRSS1F10NAMPT
SCHEMBL1901982 0.82 MASP2 (0.39) MASP2F2PRSS1F10NAMPT
SCHEMBL1432321 0.81 MASP2 (0.38) MASP2F2PRSS1F10NAMPT
SCHEMBL1908452 0.81 PSMB5 (0.41) MASP2F2PRSS1CPB1MMP1
SCHEMBL1908448 0.81 PSMB5 (0.41) MASP2F2PRSS1CPB1MMP1
SCHEMBL1908449 0.81 PSMB5 (0.41) MASP2F2PRSS1CPB1MMP1

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 disclosed
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