SCHEMBL7280393

SCHEMBL7280393

CCCC[C@H](NC(=O)[C@@H](CSc1nncs1)Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ CYP3A4 P08684 5/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ REN P00797 4/20 0.35
▸ MMP9 P14780 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP3 P08254 1/20 0.34

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
SCHEMBL7279645 0.90 MME (0.45) MMEACECPA1ACE2HRH4
SCHEMBL7268233 0.85 CTSK (0.43) CTSKCTSSMMEACECPA1
SCHEMBL7275944 0.84 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7275937 0.84 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7268176 0.84 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7269882 0.83 CTSK (0.43) CTSKCTSSMMEACECPA1
SCHEMBL9064962 0.83 CTSK (0.38) CTSKCTSSMMEACECPA1
SCHEMBL7267189 0.82 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7288315 0.82 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7273511 0.81 CTSK (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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