SCHEMBL8328346

SCHEMBL8328346

O=C(O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2c(C(=O)O)cccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.55
LMNA P02545 1/20 0.45
SERPINE1 P05121 1/20 0.41

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
SCHEMBL8322773 0.92 CHRM1 (0.46) CHRM1
SCHEMBL8325881 0.91 CHRM1 (0.45) CHRM1
SCHEMBL8329298 0.87 AGTR1 (0.46)
SCHEMBL8328347 0.83 CHRM1 (0.41) CHRM1LMNASERPINE1
SCHEMBL4729358 0.81 ABCB11 (0.47)
SCHEMBL8323834 0.81 CHRM1 (0.40) CHRM1SERPINE1
SCHEMBL9044702 0.80 AGTR1 (0.46)
SCHEMBL8325882 0.80 CHRM1 (0.39) CHRM1SERPINE1
SCHEMBL9049056 0.80 AGTR1 (0.45)
SCHEMBL4935797 0.79 AGTR1 (0.44)

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