SCHEMBL10524040

SCHEMBL10524040

CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCOCCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.44
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ ANPEP P15144 4/20 0.39
▸ ERAP2 Q6P179 4/20 0.39
▸ ERAP1 Q9NZ08 4/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ IL1RN P18510 2/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ MMP14 P50281 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
SCHEMBL10522370 0.91 REN (0.44) RENMMP9MMP8HRH4MMP2
SCHEMBL10521500 0.91 REN (0.44) RENMMP9MMP8HRH4MMP2
SCHEMBL10522201 0.89 REN (0.46) RENMMP9MMP8HRH4MMP2
SCHEMBL10518929 0.89 REN (0.42) RENMMP9MMP8HRH4MMP2
SCHEMBL10520294 0.88 REN (0.42) RENMMP9MMP8MMP2ERAP2
SCHEMBL10522717 0.86 REN (0.41) RENMMP9MMP8HRH4MMP2
SCHEMBL10521511 0.86 MMP2 (0.46) RENMMP9MMP8MMP2
SCHEMBL10519796 0.85 MMP9 (0.47) RENMMP9MMP8MMP2MMP1
SCHEMBL10633366 0.84 REN (0.58) RENMMP9MMP8ERAP2ERAP1
SCHEMBL10636529 0.84 REN (0.58) RENMMP9MMP8ERAP2ERAP1

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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