SCHEMBL9844652

SCHEMBL9844652

[c]1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.69
CYSLTR2 Q9NS75 4/20 0.69
PDE10A Q9Y233 1/20 0.56
GPBAR1 Q8TDU6 10/20 0.56

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
SCHEMBL9746283 0.83 CYSLTR1 (0.48) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL693506 0.83 CYSLTR1 (0.76) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10547998 0.82 CYSLTR1 (1.00) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL8636013 0.82 PDE10A (0.63) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL7717036 0.78 CYSLTR1 (0.55) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10543657 0.77 CYSLTR1 (0.87) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10512475 0.76 PDE10A (0.77) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL27851428 0.76 CYSLTR1 (0.52) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL7717119 0.76 CYSLTR1 (0.49) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10544473 0.76 CYSLTR1 (0.84) CYSLTR1CYSLTR2PDE10AGPBAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102131801-A 1, 2 disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS INC 2011-07-20 CN disclosed
EP-0414019-A2 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1991-02-27 EP disclosed
EP-0414078-A2 Disubstituted (quinolin-2-yl-methoxy)-phenylacetic acid derivatives BAYER AG (DE) 1991-02-27 EP disclosed
EP-0344519-A1 Substituted 4-(quinolin-2-yl-methoxy)phenyl-acetic-acid derivatives BAYER AG (DE) 1989-12-06 EP disclosed
EP-0339416-A1 Optionally alpha-substituted 4-(quinolin-2-yl-methoxy)phenyl acetic acids and esters BAYER AG (DE) 1989-11-02 EP disclosed