SCHEMBL6963935

SCHEMBL6963935

CCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.69

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
SCHEMBL6963925 1.00 AGTR1 (0.69) AGTR1
SCHEMBL6964662 0.95 AGTR1 (0.77) AGTR1
SCHEMBL6971049 0.95 AGTR1 (0.77) AGTR1
SCHEMBL9424095 0.88
SCHEMBL9424102 0.88
SCHEMBL7277554 0.88 AGTR1 (0.66) AGTR1
SCHEMBL7277544 0.88 AGTR1 (0.66) AGTR1
SCHEMBL6966392 0.86 AGTR1 (0.90) AGTR1
SCHEMBL6966400 0.86 AGTR1 (0.90) AGTR1
SCHEMBL683835 0.85 AGTR1 (0.72) 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