SCHEMBL7266120

SCHEMBL7266120

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.46
▸ MME P08473 4/20 0.45
▸ ACE P12821 2/20 0.45
▸ CPA1 P15085 2/20 0.45
▸ ACE2 Q9BYF1 2/20 0.45
▸ ECE1 P42892 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ REN P00797 5/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MMP3 P08254 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TGM2 P21980 1/20 0.36

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
SCHEMBL7274591 0.90 CTSK (0.40) HRH4MMEACECPA1ACE2
SCHEMBL7268403 0.88 MME (0.50) MMEACECPA1ACE2ECE1
SCHEMBL7278135 0.87 HRH4 (0.53) HRH4MMEACECPA1ACE2
SCHEMBL7267914 0.87 HRH4 (0.53) HRH4MMEACECPA1ACE2
SCHEMBL9083662 0.84 HRH4 (0.50) HRH4MMEACECPA1ACE2
SCHEMBL7280066 0.81 MME (0.45) HRH4MMEACECPA1ACE2
SCHEMBL7278116 0.80 MME (0.48) HRH4MMEACECPA1ACE2
SCHEMBL7269748 0.79 MME (0.46) HRH4MMEACECPA1ACE2
SCHEMBL7267230 0.79 MME (0.48) HRH4MMEACECPA1ACE2
SCHEMBL10867305 0.78 HRH4 (0.56) HRH4MMEACECPA1ACE2

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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