SCHEMBL9755563

SCHEMBL9755563

CCCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)n1Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.52
AGTR2 P50052 7/20 0.52
NR4A2 P43354 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45

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
SCHEMBL9755562 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9755601 0.77 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9039844 0.77 AGTR1 (0.53) AGTR1AGTR2RXRARXRB
SCHEMBL9041914 0.76 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9043241 0.74 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL27403218 0.74 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL1123143 0.73 RXRA (0.72) NR4A2RXRARXRB
SCHEMBL9653917 0.72 AGTR2 (0.77) AGTR1AGTR2
SCHEMBL9042348 0.72 AGTR1 (0.48) AGTR1AGTR2RXRARXRB
SCHEMBL9532189 0.72 RXRA (0.44) NR4A2RXRARXRB

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
WO-1991012002-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed