SCHEMBL10522631

SCHEMBL10522631

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCCC(=O)c1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ REN P00797 15/20 0.39
▸ CAPN1 P07384 2/20 0.37
▸ CTSB P07858 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
SCHEMBL10519730 0.89 MMP2 (0.41) MMP2MMP9MMP8RENCAPN1
SCHEMBL10520279 0.89 CAPN1 (0.47) MMP2MMP9MMP8RENCAPN1
SCHEMBL10523699 0.89 MMP2 (0.41) MMP2MMP9MMP8REN
SCHEMBL10519671 0.88 CAPN1 (0.46) MMP2MMP9MMP8RENCAPN1
SCHEMBL10518929 0.84 REN (0.42) MMP2MMP9MMP8RENCAPN1
SCHEMBL10521251 0.84 MMP9 (0.44) MMP2MMP9MMP8RENCAPN1
SCHEMBL10522756 0.84 REN (0.43) MMP2MMP9MMP8RENCAPN1
SCHEMBL10897328 0.84 MMP9 (0.44) MMP2MMP9MMP8RENCAPN1
SCHEMBL10520558 0.83 MMP9 (0.47) MMP2MMP9MMP8REN
SCHEMBL10520125 0.82 MMP9 (0.42) MMP2MMP9MMP8RENCAPN1

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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