SCHEMBL31662800

SCHEMBL31662800

O=Cc1ccc(-c2cnn(CC3CCOCC3)c2)cc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
TTK P33981 1/20 0.43
GRIN2B Q13224 6/20 0.43
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CTSC P53634 2/20 0.40
CTSK P43235 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL31662797 0.83 DYRK1A (0.49) KCNH2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31663033 0.75 KCNH2 (0.55) KCNH2GRIN2B
SCHEMBL22642924 0.71 KCNH2 (0.51) KCNH2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31662834 0.70 DRD1 (0.41) KCNH2GRIN2B
SCHEMBL31662997 0.70 POLB (0.39) KCNH2GRIN2B
SCHEMBL21410791 0.68 HDAC1 (0.40) PIK3CDPIK3CAGSK3BDYRK1ACTSC
SCHEMBL15507401 0.68 TTK (0.53) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19155068 0.66 CTSC (0.55) KCNH2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15885971 0.66 FGFR1 (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19155042 0.66 CTSC (0.55) KCNH2PIK3CDPIK3CAPIK3CBPI4KA

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed