SCHEMBL10522201

SCHEMBL10522201

CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(CCCOCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.46
▸ MMP1 P03956 4/20 0.44
▸ MMP3 P08254 3/20 0.41
▸ MMP8 P22894 5/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ PSMB5 P28074 1/20 0.38

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
SCHEMBL10520294 0.91 REN (0.42) RENMMP8MMP9MMP2
SCHEMBL10522370 0.91 REN (0.44) RENMMP1MMP8MMP9MMP2
SCHEMBL10521500 0.90 REN (0.44) RENMMP8MMP9MMP2HRH4
SCHEMBL10524040 0.89 REN (0.44) RENMMP1MMP8MMP9MMP2
SCHEMBL10633366 0.87 REN (0.58) RENMMP8MMP9CTSBCTSK
SCHEMBL10976366 0.87 REN (0.58) RENMMP8MMP9CTSBCTSK
SCHEMBL10636529 0.87 REN (0.58) RENMMP8MMP9CTSBCTSK
SCHEMBL10981168 0.87 REN (0.58) RENMMP8MMP9CTSBCTSK
SCHEMBL10523699 0.86 MMP2 (0.41) RENMMP8MMP9MMP2
SCHEMBL10636517 0.84 REN (0.56) RENMMP8MMP9CTSBCTSK

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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