SCHEMBL9249294

SCHEMBL9249294

CCCCc1nc(Cc2ccc(-c3ccccc3C(=O)O)cc2)c(CC(=O)O)c(Cc2ccc(-c3ccccc3C(=O)O)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.59
AGTR2 P50052 4/20 0.59
BRS3 P32247 1/20 0.51

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
SCHEMBL1226948 0.94 AGTR1 (0.54) AGTR1AGTR2BRS3
SCHEMBL9256152 0.94 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL1228364 0.93 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL1227540 0.91 AGTR1 (0.52) AGTR1AGTR2BRS3
SCHEMBL8806936 0.90 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8504852 0.85 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8806942 0.85 ALDH1A1 (0.46) AGTR1AGTR2
SCHEMBL8806775 0.84 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL1227891 0.83 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL1227544 0.78 BRS3 (0.55) AGTR1AGTR2BRS3

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-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 US disclosed