SCHEMBL8954227

SCHEMBL8954227

CCCCc1ncc(CC(Cc2ccsc2)C(=O)O)n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 5/20 0.57
▸ AGTR2 P50052 1/20 0.55
▸ ABCC3 O15438 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47

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
SCHEMBL8954223 0.88 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8954110 0.87 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8954159 0.85 AGTR1 (0.61) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8954239 0.84 AGTR1 (0.58) AGTR1
SCHEMBL8954090 0.84 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8954212 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8954036 0.81 AGTR1 (0.52) AGTR1
SCHEMBL8954246 0.81 AGTR1 (0.56) AGTR1ABCC3ABCC2
SCHEMBL9386724 0.81 AGTR1 (0.65) AGTR1
SCHEMBL8434040 0.81 AGTR1 (0.65) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 — — US disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 — — US disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS — 1993-11-10 — — EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 — — EP disclosed
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 — — WO disclosed
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