SCHEMBL9122452

SCHEMBL9122452

CCCCc1ncc(C=O)n1Cc1ccc(C(=O)OC)cn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.53
AGTR2 P50052 4/20 0.53

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
SCHEMBL946900 0.87 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9119690 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9125809 0.82 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9121218 0.79 AGTR1 (0.71) AGTR1
SCHEMBL9121230 0.79 AGTR1 (0.71) AGTR1
SCHEMBL9120388 0.78 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9118798 0.78 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8507705 0.77 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL20503310 0.77 MAPK1 (0.54)
SCHEMBL9128122 0.77 AGTR1 (0.54) AGTR1AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447949-A Vision defects or cardiovascular disorders SMITHKLINE BEECHAM CORPORATION (US) 1995-09-05 US disclosed
WO-1992020651-A2 N-(HETEROARYL)-IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-11-26 WO disclosed