SCHEMBL8236331

SCHEMBL8236331

C=C1OC(c2ccc(Cl)cc2)CN1Cc1ccc(-c2cccc(CN(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
GRM2 Q14416 8/20 0.43
AOC3 Q16853 2/20 0.40
FFAR2 O15552 2/20 0.36
HTR2A P28223 1/20 0.36
LTA4H P09960 1/20 0.35
HTR7 P34969 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL2901758 0.88 GRM2 (0.55) TAAR1GRM2AOC3HTR2A
SCHEMBL2901760 0.88 GRM2 (0.55) TAAR1GRM2AOC3HTR2A
SCHEMBL13086451 0.80 GRM2 (0.51) GRM2AOC3HTR2ALTA4H
SCHEMBL2901376 0.78 GRM2 (0.53) GRM2AOC3HTR2ALTA4H
SCHEMBL2896650 0.78 GRM2 (0.53) GRM2AOC3HTR2ALTA4H
SCHEMBL2899321 0.78 GRM2 (0.67) GRM2HTR2A
SCHEMBL2900047 0.78 GRM2 (0.67) GRM2HTR2A
SCHEMBL19496621 0.75 TAAR1 (0.70) TAAR1AOC3HTR7HRH3
SCHEMBL2896644 0.74 GRM2 (0.53) GRM2AOC3HTR2ALTA4H
SCHEMBL2896643 0.74 GRM2 (0.53) GRM2AOC3HTR2ALTA4H

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
WO-2007078523-A2 5-PHENYL-3-BENZYL-0XAZ0LIDIN-2-0NE DERIVATIVES AND RELATED COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2007-07-12 WO disclosed