SCHEMBL10521381

SCHEMBL10521381

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CNC(=O)Cc1cccc2ccccc12)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.42
▸ REN P00797 8/20 0.42
▸ MMP9 P14780 4/20 0.41
▸ MMP8 P22894 4/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ MMP1 P03956 3/20 0.40
▸ FCER2 P06734 1/20 0.40
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL10520558 0.88 MMP9 (0.47) RENMMP9MMP8MMP2MMP1
SCHEMBL10897999 0.87 PSMB5 (0.45) PSMB5RENMMP9MMP8MMP2
SCHEMBL10521185 0.84 CASP1 (0.47) RENMMP9MMP8MMP2CASP1
SCHEMBL10521374 0.84 CAPN1 (0.48) PSMB5RENMMP9MMP8MMP2
SCHEMBL10520279 0.83 CAPN1 (0.47) PSMB5RENMMP9MMP8MMP2
SCHEMBL10633448 0.83 REN (0.56) PSMB5RENCTSL
SCHEMBL10519671 0.83 CAPN1 (0.46) PSMB5RENMMP9MMP8MMP2
SCHEMBL10518929 0.81 REN (0.42) PSMB5RENMMP9MMP8MMP2
SCHEMBL10519172 0.81 REN (0.40) RENMMP9MMP8CTSLMMP1
SCHEMBL10897328 0.81 MMP9 (0.44) PSMB5RENMMP9MMP8MMP2

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