SCHEMBL10520558

SCHEMBL10520558

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)NCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 8/20 0.47
▸ MMP8 P22894 8/20 0.47
▸ MMP2 P08253 5/20 0.47
▸ REN P00797 10/20 0.45
▸ MMP1 P03956 1/20 0.44
▸ FCER2 P06734 1/20 0.44
▸ CASP1 P29466 1/20 0.42

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
SCHEMBL10521185 0.94 CASP1 (0.47) MMP9MMP8MMP2RENCASP1
SCHEMBL10519796 0.89 MMP9 (0.47) MMP9MMP8MMP2RENMMP1
SCHEMBL10521381 0.88 PSMB5 (0.42) MMP9MMP8MMP2RENMMP1
SCHEMBL10520876 0.87 MMP2 (0.50) MMP9MMP8MMP2MMP1CASP1
SCHEMBL10520279 0.87 CAPN1 (0.47) MMP9MMP8MMP2RENMMP1
SCHEMBL10519671 0.86 CAPN1 (0.46) MMP9MMP8MMP2RENMMP1
SCHEMBL10897999 0.86 PSMB5 (0.45) MMP9MMP8MMP2RENMMP1
SCHEMBL10633448 0.85 REN (0.56) REN
SCHEMBL10518929 0.85 REN (0.42) MMP9MMP8MMP2REN
SCHEMBL10521251 0.84 MMP9 (0.44) MMP9MMP8MMP2REN

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
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
Send feedback