SCHEMBL6957906

SCHEMBL6957906

CCCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc1cc(Cl)c(C(=O)O)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.78
ABCC3 O15438 1/20 0.71
ABCC2 Q92887 1/20 0.71

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
SCHEMBL6957902 1.00 AGTR1 (0.78) AGTR1ABCC3ABCC2
SCHEMBL683415 0.89 AGTR1 (0.81) AGTR1ABCC3ABCC2
SCHEMBL683455 0.89 AGTR1 (0.79) AGTR1ABCC3ABCC2
SCHEMBL6642074 0.89 AGTR1 (0.81) AGTR1ABCC3ABCC2
SCHEMBL6959752 0.89 AGTR1 (0.79) AGTR1ABCC3ABCC2
SCHEMBL9593060 0.88 AGTR1 (0.79) AGTR1ABCC3ABCC2
SCHEMBL9593073 0.88 AGTR1 (0.79) AGTR1ABCC3ABCC2
SCHEMBL6636932 0.88 AGTR1 (0.80) AGTR1ABCC3ABCC2
SCHEMBL6636924 0.88 AGTR1 (0.80) AGTR1ABCC3ABCC2
SCHEMBL683417 0.88 AGTR1 (1.00) 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
EP-0955294-B1 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORP (US) 2003-09-24 EP disclosed
EP-0955294-A2 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORPORATION (US) 1999-11-10 EP disclosed
US-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 US disclosed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed