SCHEMBL10519172

SCHEMBL10519172

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)N(C)c1cccc2ccccc12)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.40
▸ CAPN1 P07384 2/20 0.39
▸ BIRC2 Q13490 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ FCER2 P06734 1/20 0.38
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 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
SCHEMBL10520337 0.89 CTSB (0.39) RENCAPN1CTSLMMP8
SCHEMBL10522964 0.84 REN (0.35) RENCAPN1MMP9MMP8
SCHEMBL10522966 0.84 REN (0.35) RENCAPN1MMP9MMP8
SCHEMBL10521374 0.84 CAPN1 (0.48) RENCAPN1CTSLMMP1FCER2
SCHEMBL10520558 0.82 MMP9 (0.47) RENMMP1FCER2MMP9MMP8
SCHEMBL10521381 0.81 PSMB5 (0.42) RENCTSLMMP1FCER2MMP9
SCHEMBL10521185 0.80 CASP1 (0.47) RENCAPN1MMP9MMP8
SCHEMBL10897999 0.79 PSMB5 (0.45) RENMMP1FCER2MMP9MMP8
SCHEMBL10519910 0.79 CAPN1 (0.52) RENCAPN1CTSLMMP1MMP9
SCHEMBL10520279 0.79 CAPN1 (0.47) RENCAPN1CTSLMMP1MMP9

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