SCHEMBL10520337

SCHEMBL10520337

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 4/20 0.39
▸ PSMB5 P28074 3/20 0.37
▸ MMP8 P22894 1/20 0.36
▸ CAPN1 P07384 4/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ CTRC Q99895 1/20 0.36
▸ CTSL P07711 2/20 0.35
▸ REN P00797 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CCKBR P32239 2/20 0.35
▸ PSMB1 P20618 1/20 0.34
▸ PSMB2 P49721 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
SCHEMBL10519172 0.89 REN (0.40) MMP8CAPN1CTSLREN
SCHEMBL10897999 0.84 PSMB5 (0.45) CTSBPSMB5MMP8RENPSMB1
SCHEMBL10522964 0.82 REN (0.35) CTSBPSMB5MMP8CAPN1REN
SCHEMBL10522966 0.82 REN (0.35) CTSBPSMB5MMP8CAPN1REN
SCHEMBL10521374 0.81 CAPN1 (0.48) CTSBPSMB5MMP8CAPN1CTSL
SCHEMBL10633448 0.79 REN (0.56) CTSBPSMB5CTSLRENPSMB1
SCHEMBL10521381 0.79 PSMB5 (0.42) PSMB5MMP8CTSLREN
SCHEMBL10520558 0.78 MMP9 (0.47) MMP8REN
SCHEMBL10520279 0.78 CAPN1 (0.47) PSMB5MMP8CAPN1CTSLREN
SCHEMBL10520198 0.78 CAPN1 (0.50) CTSBCAPN1CTSL

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
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