SCHEMBL9045647

SCHEMBL9045647

CCCCc1nc(C)cc(=O)n1Cc1ccc(OCc2cccc(C(=O)O)c2C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL9039836 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9045655 0.83 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9531984 0.82 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9532742 0.81 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9041257 0.81 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9039844 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9043234 0.79 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9200809 0.79
SCHEMBL9040455 0.76 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9843834 0.75 AGTR1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed