SCHEMBL7268334

SCHEMBL7268334

CCCC[C@H](NC(=O)[C@H](Cc1cccc2cccnc12)CS(=O)(=O)CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MME P08473 5/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ACE P12821 2/20 0.39
▸ CPA1 P15085 2/20 0.39
▸ ACE2 Q9BYF1 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL7278135 0.85 HRH4 (0.53) MMP2MMP9MMP8MMEECE1
SCHEMBL7267914 0.85 HRH4 (0.53) MMP2MMP9MMP8MMEECE1
SCHEMBL7266079 0.81 MME (0.47) MMP2MMEECE1ACECPA1
SCHEMBL7280278 0.81 MME (0.47) MMP2MMEECE1ACECPA1
SCHEMBL7267230 0.80 MME (0.48) MMP2MMP9MMP8MMEECE1
SCHEMBL7276322 0.80 REN (0.46) MMP2MMP9MMP8
SCHEMBL7273054 0.80 REN (0.46) MMP2MMP9MMP8
SCHEMBL9083662 0.78 HRH4 (0.50) MMP2MMP9MMP8MMEECE1
SCHEMBL7266481 0.78 MMP8 (0.55) MMP2MMP9MMP8MME
SCHEMBL7266488 0.78 MMP8 (0.55) MMP2MMP9MMP8MME

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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