SCHEMBL7863409

SCHEMBL7863409

C[C@@H]1COCCN1Cc1ccc(N)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.48
LTA4H P09960 1/20 0.47
CNR2 P34972 1/20 0.42
PIK3CA P42336 4/20 0.41
ALDH1A1 P00352 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
PDE1B Q01064 1/20 0.38
MAOB P27338 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MTOR P42345 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 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
SCHEMBL632416 0.84 LTA4H (0.47) GRM2LTA4HCNR2PIK3CAALDH1A1
SCHEMBL632417 0.84 LTA4H (0.47) GRM2LTA4HCNR2PIK3CAALDH1A1
SCHEMBL633549 0.84 LTA4H (0.47) GRM2LTA4HCNR2PIK3CAALDH1A1
SCHEMBL7864913 0.81 GRM2 (0.39) GRM2ALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL8805178 0.80 LTA4H (0.56) GRM2LTA4HCNR2PIK3CAALDH1A1
SCHEMBL13638809 0.77 KDM4E (0.52) GRM2LTA4HPIK3CAALDH1A1FGFR1
SCHEMBL12214 0.76 LTA4H (0.57) GRM2LTA4HCNR2ALDH1A1PDE1B
SCHEMBL14960477 0.76 LTA4H (0.57) GRM2LTA4HCNR2ALDH1A1PDE1B
SCHEMBL18491483 0.76 HRH3 (0.54) PIK3CAALDH1A1MAPTSMN1; SMN2HRH3
SCHEMBL30508309 0.75 LTA4H (0.56) GRM2LTA4HCNR2PIK3CAALDH1A1

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-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO disclosed