SCHEMBL10519796

SCHEMBL10519796

CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)NCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 6/20 0.47
▸ MMP8 P22894 6/20 0.47
▸ MMP2 P08253 4/20 0.47
▸ REN P00797 13/20 0.47
▸ MMP1 P03956 1/20 0.44
▸ FCER2 P06734 1/20 0.44

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
SCHEMBL10521511 0.94 MMP2 (0.46) MMP9MMP8MMP2REN
SCHEMBL10519920 0.90 MMP2 (0.50) MMP9MMP8MMP2RENMMP1
SCHEMBL10520558 0.89 MMP9 (0.47) MMP9MMP8MMP2RENMMP1
SCHEMBL10522487 0.87 MMP2 (0.51) MMP9MMP8MMP2MMP1
SCHEMBL10522100 0.87 HRH4 (0.43) MMP9MMP8MMP2RENMMP1
SCHEMBL10522370 0.87 REN (0.44) MMP9MMP8MMP2RENMMP1
SCHEMBL10521500 0.87 REN (0.44) MMP9MMP8MMP2REN
SCHEMBL10522717 0.85 REN (0.41) MMP9MMP8MMP2RENMMP1
SCHEMBL10571479 0.85 REN (0.49) MMP9MMP8MMP2REN
SCHEMBL10636529 0.85 REN (0.58) MMP9MMP8REN

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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