SCHEMBL8327093

SCHEMBL8327093

CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2cc(C(=O)O)ccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.53
AGTR2 P50052 5/20 0.53
PPARG P37231 2/20 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
SCHEMBL8410082 0.92 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL8327991 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8323093 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8322426 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8325939 0.90 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL8325903 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8327533 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8327393 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8412385 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8327100 0.86 AGTR1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP claimed
US-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed