SCHEMBL31663322

SCHEMBL31663322

Cn1nc(-c2ccc(C=O)c(C3CC3)c2)cc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
PIK3CA P42336 4/20 0.35
CYP2C19 P33261 1/20 0.35
FLT3 P36888 1/20 0.34
SYK P43405 1/20 0.34
AURKB Q96GD4 1/20 0.34
KCNH2 Q12809 3/20 0.34
ASIC1 P78348 1/20 0.33
DGAT1 O75907 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
MAP3K12 Q12852 1/20 0.33

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
SCHEMBL31663301 0.87 USP1 (0.34) PIK3CACYP2C19FLT3SYKAURKB
SCHEMBL31662894 0.74 SYK (0.32) SYKMAP3K12
SCHEMBL31663003 0.71 MET (0.35) SYKMAP3K12
SCHEMBL31663184 0.69 PTGES (0.38) FLT3SYKAURKBMAP3K12PDE10A
SCHEMBL25406855 0.69 KCNH2 (0.48) PIK3CAKCNH2PTGS2PDE10APIK3CD
SCHEMBL26849009 0.69 SLC34A1 (0.43) PIK3CAKCNH2PDE10APIK3CDPIK3CB
SCHEMBL30567672 0.69 KCNH2 (0.48) PIK3CAKCNH2PTGS2PDE10APIK3CD
SCHEMBL31662999 0.67 GRIN2B (0.35) CYP2C19KCNH2MAP3K12
SCHEMBL18003627 0.66 PIK3CA (0.52) PIK3CAKCNH2PDE10APIK3CDPIK3CB
SCHEMBL16397962 0.66 DGAT1 (0.41) PIK3CASYKKCNH2DGAT1MCHR1

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