SCHEMBL10522717

SCHEMBL10522717

CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CNCCCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ MMP1 P03956 2/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 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
SCHEMBL10522370 0.92 REN (0.44) RENMMP2MMP9MMP8SIGMAR1
SCHEMBL10521500 0.91 REN (0.44) RENMMP2MMP9MMP8HRH4
SCHEMBL10521511 0.87 MMP2 (0.46) RENMMP2MMP9MMP8
SCHEMBL10524040 0.86 REN (0.44) RENMMP2MMP9MMP8HRH4
SCHEMBL10519796 0.85 MMP9 (0.47) RENMMP2MMP9MMP8MMP1
SCHEMBL10521303 0.84 REN (0.45) RENMMP2MMP9MMP8ANPEP
SCHEMBL10522201 0.84 REN (0.46) RENMMP2MMP9MMP8HRH4
SCHEMBL10520294 0.84 REN (0.42) RENMMP2MMP9MMP8ERAP2
SCHEMBL10636529 0.84 REN (0.58) RENMMP9MMP8PSMB5ERAP2
SCHEMBL10976366 0.84 REN (0.58) RENMMP9MMP8PSMB5ERAP2

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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