SCHEMBL10520279

SCHEMBL10520279

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCCCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.47
▸ REN P00797 8/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ ANPEP P15144 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ MMP1 P03956 2/20 0.39

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
SCHEMBL10519671 0.99 CAPN1 (0.46) CAPN1RENMMP2MMP9MMP8
SCHEMBL10518929 0.91 REN (0.42) CAPN1RENMMP2MMP9MMP8
SCHEMBL10519730 0.90 MMP2 (0.41) CAPN1RENMMP2MMP9MMP8
SCHEMBL10519808 0.89 CAPN1 (0.52) CAPN1RENMMP2MMP9ERAP2
SCHEMBL10522631 0.89 MMP2 (0.41) CAPN1RENMMP2MMP9MMP8
SCHEMBL10521500 0.89 REN (0.44) RENMMP2MMP9MMP8ANPEP
SCHEMBL10521185 0.88 CASP1 (0.47) CAPN1RENMMP2MMP9MMP8
SCHEMBL10519910 0.88 CAPN1 (0.52) CAPN1RENMMP2MMP9ERAP2
SCHEMBL10520558 0.87 MMP9 (0.47) RENMMP2MMP9MMP8MMP1
SCHEMBL10522370 0.87 REN (0.44) RENMMP2MMP9MMP8ANPEP

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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