SCHEMBL9039844

SCHEMBL9039844

CCCCc1nc(C)cc(=O)n1Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.53
AGTR2 P50052 6/20 0.53
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL9043241 0.87 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9045655 0.86 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9039836 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9040463 0.84 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9041257 0.83 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9041914 0.82 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9755601 0.80 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9045647 0.80 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9039392 0.78 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9755563 0.77 AGTR1 (0.52) AGTR1AGTR2RXRARXRB

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