SCHEMBL31663301

SCHEMBL31663301

CCn1nc(-c2ccc(C=O)c(C3CC3)c2)cc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.34
PIK3CA P42336 3/20 0.34
CYP2C19 P33261 2/20 0.34
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 3/20 0.33
SCN9A Q15858 3/20 0.32
MAP3K12 Q12852 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CNR1 P21554 1/20 0.32
TRPV3 Q8NET8 2/20 0.32
TRPA1 O75762 2/20 0.31
SLC34A1 Q06495 1/20 0.31
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL31662894 0.87 SYK (0.32) MAP3K12SYK
SCHEMBL31663322 0.87 STIM1 (0.35) PIK3CACYP2C19DGAT1KCNH2MAP3K12
SCHEMBL31663003 0.84 MET (0.35) MAP3K12SYK
SCHEMBL31663184 0.82 PTGES (0.38) SCN9AMAP3K12FLT3SYKAURKB
SCHEMBL26849014 0.71 KCNH2 (0.42) PIK3CACYP2C19KCNH2CYP3A4CYP2C9
SCHEMBL25408338 0.70 KCNH2 (0.46) PIK3CACYP2C19KCNH2MAP3K12CYP3A4
SCHEMBL30567651 0.70 KCNH2 (0.46) PIK3CACYP2C19KCNH2MAP3K12CYP3A4
SCHEMBL31663278 0.66 GRIN2B (0.37)
SCHEMBL18003627 0.64 PIK3CA (0.52) PIK3CAKCNH2
SCHEMBL31662943 0.64 PDE4D (0.38)

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