SCHEMBL9593121

SCHEMBL9593121

CCCCc1ncc(C(C)=C(C(=O)O)c2cccs2)n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.52
AGTR2 P50052 2/20 0.52
ABCC3 O15438 1/20 0.49
ABCC2 Q92887 1/20 0.49

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
SCHEMBL7048382 0.91 AGTR1 (0.58) AGTR1AGTR2ABCC3ABCC2
SCHEMBL7448069 0.89 AGTR1 (0.54) AGTR1AGTR2ABCC3ABCC2
SCHEMBL6968424 0.82 AGTR1 (0.58) AGTR1
SCHEMBL6967063 0.82 AGTR1 (0.47) AGTR1ABCC3ABCC2
SCHEMBL6959552 0.81 AGTR1 (0.43) AGTR1ABCC3ABCC2
SCHEMBL1256316 0.81 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9121223 0.79 AGTR1 (0.43) AGTR1AGTR2ABCC3ABCC2
SCHEMBL8314073 0.79 AGTR1 (0.44) AGTR1
SCHEMBL9593779 0.77 KDM4E (0.45) AGTR1AGTR2
SCHEMBL6959544 0.75 AGTR1 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US claimed