SCHEMBL8314073

SCHEMBL8314073

CCCCc1ncc(C(C)=C(C(=O)O)c2cccs2)n1Cc1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6968424 0.86 AGTR1 (0.58) AGTR1
SCHEMBL7048382 0.82 AGTR1 (0.58) AGTR1
SCHEMBL6967063 0.81 AGTR1 (0.47) AGTR1
SCHEMBL9593121 0.79 AGTR1 (0.52) AGTR1
SCHEMBL7448069 0.78 AGTR1 (0.54) AGTR1
SCHEMBL9593779 0.77 KDM4E (0.45) AGTR1ALDH1A1
SCHEMBL6959552 0.76 AGTR1 (0.43) AGTR1
SCHEMBL6962986 0.75 AGTR1 (0.77) AGTR1
SCHEMBL6962978 0.75 AGTR1 (0.77) AGTR1
SCHEMBL9490959 0.75 AGTR1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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