SCHEMBL6960200

SCHEMBL6960200

CCCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc1ccccc1C#N

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 0.69
ABCC2 Q92887 1/20 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
SCHEMBL682665 1.00 AGTR1 (0.78) AGTR1ABCC3ABCC2
SCHEMBL6970340 0.88 AGTR1 (0.82) AGTR1ABCC3ABCC2
SCHEMBL6959681 0.88 AGTR1 (0.82) AGTR1ABCC3ABCC2
SCHEMBL6970338 0.88 AGTR1 (0.82) AGTR1ABCC3ABCC2
SCHEMBL6959689 0.88 AGTR1 (0.82) AGTR1ABCC3ABCC2
SCHEMBL9424063 0.88
SCHEMBL9424065 0.88
SCHEMBL683417 0.87 AGTR1 (1.00) AGTR1
SCHEMBL6963959 0.87 AGTR1 (0.82) AGTR1ABCC3ABCC2
SCHEMBL6960102 0.87 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 9 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 claimed
EP-0955294-A2 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORPORATION (US) 1999-11-10 EP claimed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US claimed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP claimed
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