SCHEMBL7274591

SCHEMBL7274591

CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)Cc1ccco1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.40
▸ CTSS P25774 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ MME P08473 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ MMP9 P14780 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ REN P00797 5/20 0.35
▸ MMP2 P08253 2/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ BIRC2 Q13490 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
SCHEMBL7266120 0.90 HRH4 (0.46) HRH4MMEACECPA1ACE2
SCHEMBL7287836 0.86 CTSS (0.44) CTSKCTSSHRH4MMEACE
SCHEMBL7273955 0.86 CTSK (0.41) CTSKCTSSHRH4MMEACE
SCHEMBL7278238 0.86 CTSK (0.43) CTSKCTSSHRH4MMEACE
SCHEMBL7267552 0.84 CTSK (0.45) CTSKCTSSHRH4MMEACE
SCHEMBL7287432 0.84 CTSK (0.41) CTSKCTSSHRH4MMEACE
SCHEMBL7276776 0.84 CTSS (0.41) CTSKCTSSHRH4MMEACE
SCHEMBL7276785 0.84 CTSS (0.41) CTSKCTSSHRH4MMEACE
SCHEMBL7269759 0.82 CTSK (0.41) CTSKCTSSHRH4MMEACE
SCHEMBL7288315 0.82 CTSK (0.48) CTSKCTSSHRH4MMEACE

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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