SCHEMBL10519920

SCHEMBL10519920

CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC(=O)Nc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.50
▸ MMP9 P14780 6/20 0.50
▸ MMP8 P22894 3/20 0.50
▸ REN P00797 13/20 0.45
▸ MMP1 P03956 1/20 0.42

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
SCHEMBL10519796 0.90 MMP9 (0.47) MMP2MMP9MMP8RENMMP1
SCHEMBL10521511 0.89 MMP2 (0.46) MMP2MMP9MMP8REN
SCHEMBL10522487 0.85 MMP2 (0.51) MMP2MMP9MMP8MMP1
Bromide SCHEMBL10976755 0.85 MMP9 (0.45) MMP2MMP9MMP8REN
Bromide SCHEMBL10635874 0.85 MMP9 (0.45) MMP2MMP9MMP8REN
SCHEMBL10522370 0.85 REN (0.44) MMP2MMP9MMP8RENMMP1
SCHEMBL10522694 0.84 MMP9 (0.44) MMP2MMP9MMP8REN
SCHEMBL10520294 0.84 REN (0.42) MMP2MMP9MMP8REN
SCHEMBL10521500 0.84 REN (0.44) MMP2MMP9MMP8REN
SCHEMBL10898002 0.84 MMP9 (0.44) MMP2MMP9MMP8REN

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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