SCHEMBL10520125

SCHEMBL10520125

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CC=CC=Cc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ REN P00797 10/20 0.40
▸ MMP14 P50281 1/20 0.37
▸ CAPN1 P07384 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ MME P08473 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ CTSB P07858 1/20 0.35

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
SCHEMBL10901322 1.00 MMP9 (0.42) MMP9MMP8MMP2RENMMP14
SCHEMBL10521251 0.95 MMP9 (0.44) MMP9MMP8MMP2RENMMP14
SCHEMBL10897328 0.95 MMP9 (0.44) MMP9MMP8MMP2RENMMP14
SCHEMBL10899340 0.90 MMP9 (0.42) MMP9MMP8MMP2RENMMP14
SCHEMBL10522077 0.90 MMP9 (0.42) MMP9MMP8MMP2RENMMP14
SCHEMBL10522694 0.85 MMP9 (0.44) MMP9MMP8MMP2RENMMP14
SCHEMBL10898002 0.85 MMP9 (0.44) MMP9MMP8MMP2RENMMP14
SCHEMBL10519730 0.84 MMP2 (0.41) MMP9MMP8MMP2RENCAPN1
SCHEMBL10522756 0.83 REN (0.43) MMP9MMP8MMP2RENMMP14
SCHEMBL10520279 0.83 CAPN1 (0.47) MMP9MMP8MMP2RENCAPN1

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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