SCHEMBL7266699

SCHEMBL7266699

CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)C[S+]([O-])c1ncccn1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ REN P00797 4/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ PTPN1 P18031 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
SCHEMBL7268308 0.89 MME (0.47) MMEACECPA1ACE2HRH4
SCHEMBL7268515 0.88 CTSK (0.45) CTSKCTSSMMEACECPA1
SCHEMBL7268233 0.84 CTSK (0.43) CTSKCTSSMMEACECPA1
SCHEMBL7288315 0.84 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7267189 0.84 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7268423 0.83 CTSK (0.42) CTSKCTSSMMEACECPA1
SCHEMBL7268092 0.83 HRH4 (0.55) CTSKCTSSMMEACECPA1
SCHEMBL7278173 0.81 CTSK (0.39) CTSKCTSSMMEACECPA1
SCHEMBL7278179 0.81 CTSK (0.39) CTSKCTSSMMEACECPA1
SCHEMBL7275937 0.81 CTSK (0.46) CTSKCTSSMMEACECPA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 — — EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 — — US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 — — US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 — — US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 — — US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
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