SCHEMBL9249385

SCHEMBL9249385

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
AGTR2 P50052 2/20 0.53
LTB4R2 Q9NPC1 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL8806775 0.91 AGTR1 (0.56) AGTR1AGTR2LTB4R2ACHESLC6A4
SCHEMBL9250317 0.86 DHFR (0.40)
SCHEMBL9254655 0.85 AGTR1 (0.42) AGTR1AGTR2ACHE
SCHEMBL9249723 0.84 ALDH1A1 (0.45)
SCHEMBL8806936 0.84 AGTR1 (0.58) AGTR1AGTR2LTB4R2ACHESLC6A4
SCHEMBL9256658 0.82 PPARG (0.43) AGTR1AGTR2
SCHEMBL1228364 0.81 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9254231 0.80 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8504880 0.78 AGTR1 (0.60) AGTR1AGTR2LTB4R2ACHE
SCHEMBL9250685 0.78 SMO (0.34) 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
US-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 US disclosed