SCHEMBL9847397

SCHEMBL9847397

c1ccc2nc(COc3ccc([C]4CCCCC4)cc3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.64
CYSLTR2 Q9NS75 5/20 0.64
GPBAR1 Q8TDU6 1/20 0.56
PDE10A Q9Y233 7/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
ALOX5 P09917 2/20 0.53

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
SCHEMBL10520725 1.00 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL8503497 0.99 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL26771259 0.80 CYSLTR1 (0.92) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10547998 0.79 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL26774846 0.79 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL13772898 0.79 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL13772899 0.79 PDE10A (0.73) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10544473 0.79 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL6583310 0.78 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL10438395 0.77 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5

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-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