SCHEMBL7268308

SCHEMBL7268308

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.47
▸ ACE P12821 2/20 0.47
▸ CPA1 P15085 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ FOLH1 Q04609 1/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ REN P00797 5/20 0.39
▸ ECE1 P42892 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ MMP14 P50281 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
SCHEMBL7266699 0.89 CTSK (0.42) MMEACECPA1ACE2HRH4
SCHEMBL7276401 0.87 MME (0.52) MMEACECPA1ACE2HRH4
SCHEMBL7266726 0.81 MME (0.48) MMEACECPA1ACE2HRH4
SCHEMBL7280678 0.81 REN (0.53) REN
SCHEMBL7267230 0.81 MME (0.48) MMEACECPA1ACE2HRH4
SCHEMBL10867305 0.80 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL10867308 0.80 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL7278135 0.78 HRH4 (0.53) MMEACECPA1ACE2HRH4
SCHEMBL7267914 0.78 HRH4 (0.53) MMEACECPA1ACE2HRH4
SCHEMBL7266716 0.77 MME (0.45) MMEACECPA1ACE2HRH4

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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