SCHEMBL6959340

SCHEMBL6959340

CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1cccc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.80
ABCC3 O15438 1/20 0.72
ABCC2 Q92887 1/20 0.72

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
SCHEMBL6959346 1.00 AGTR1 (0.80) AGTR1ABCC3ABCC2
SCHEMBL6972402 0.91 AGTR1 (0.84) AGTR1ABCC3ABCC2
SCHEMBL6972396 0.91 AGTR1 (0.84) AGTR1ABCC3ABCC2
SCHEMBL9424168 0.89 AGTR1 (0.64) AGTR1
SCHEMBL9424171 0.89 AGTR1 (0.64) AGTR1
SCHEMBL6968628 0.89 AGTR1 (0.83) AGTR1ABCC3ABCC2
SCHEMBL6968621 0.89 AGTR1 (0.83) AGTR1ABCC3ABCC2
SCHEMBL9424395 0.88 AGTR1 (0.59) AGTR1
SCHEMBL9424402 0.88 AGTR1 (0.59) AGTR1
SCHEMBL683466 0.87 AGTR1 (0.75) AGTR1ABCC3ABCC2

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