SCHEMBL8323609

SCHEMBL8323609

CCCCc1cn(Cc2ccc(-c3ccccc3OC(=O)O)cc2)c2c(c1=O)CC(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
AGTR2 P50052 4/20 0.37

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
SCHEMBL8325773 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7847610 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8413083 0.86 ACHE (0.47) AGTR1AGTR2
SCHEMBL8678184 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7850545 0.79 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8328934 0.79 CHRM1 (0.47)
SCHEMBL8413669 0.77 ACHE (0.47) AGTR1AGTR2
SCHEMBL7849540 0.76 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8329353 0.76 ICMT (0.43) AGTR1AGTR2
SCHEMBL8329222 0.74 ICMT (0.42) 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
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