SCHEMBL8971512

SCHEMBL8971512

CCCCC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)Cc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 17/20 0.37
▸ MME P08473 15/20 0.37
▸ CPA1 P15085 14/20 0.37
▸ ACE2 Q9BYF1 14/20 0.37
▸ ITGB3 P05106 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ ITGA5 P08648 1/20 0.33
▸ CA2 P00918 1/20 0.32

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
SCHEMBL8957141 0.86 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL8957142 0.86 MME (0.36) ACEMMECPA1ACE2
SCHEMBL8957110 0.83 MME (0.35) ACEMMECPA1ACE2
SCHEMBL8957107 0.83 ACE (0.39) ACEMMECPA1ACE2
SCHEMBL7049829 0.83 MME (0.41) ACEMMECPA1ACE2
SCHEMBL8957278 0.81 ACE (0.40) ACEMMECPA1ACE2CA2
SCHEMBL8971441 0.81 ACE (0.40) ACEMMECPA1ACE2
SCHEMBL8957204 0.79 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL8957132 0.76 HCAR3 (0.38) MME
SCHEMBL30553466 0.71 DPP7 (0.40) ACEMMECPA1ACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565480-A ANGIOTENSIN II RECEPTOR ANTAGONIST; USEFUL IN REGULATING HYPERTENSION, TREATMENT OF CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLUCOMA SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 — — US disclosed
US-5444081-A Treatment of hypertension, congestive heart failure, renal failure, glaucoma SMITHKLINE BEECHAM CORP (US) 1995-08-22 — — US disclosed
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