SCHEMBL31663025

SCHEMBL31663025

O=Cc1ccc(-c2coc(-c3ccccc3)n2)cc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.44
ENPP1 P22413 2/20 0.44
SMO Q99835 2/20 0.38
DRD1 P21728 2/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.33
GRM2 Q14416 1/20 0.33
MMP13 P45452 2/20 0.33
HPSE Q9Y251 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL31662821 0.95 ENPP3 (0.44) ENPP3ENPP1SMODRD1HSD17B1
SCHEMBL28060611 0.79 DRD1 (0.51) DRD1POLBMEN1KMT2AALDH1A1
SCHEMBL31662941 0.78 NPC1 (0.50) MEN1KMT2AALDH1A1TP53CYP1A2
SCHEMBL31662950 0.77 ALOX15 (0.50) SMODRD1HSD17B1HSD17B2POLB
SCHEMBL31663217 0.74 ALOX15 (0.50) SMODRD1HSD17B1HSD17B2MEN1
SCHEMBL31662882 0.74 DRD1 (0.40) DRD1POLBALDH1A1LMNATP53
SCHEMBL31663072 0.71 PDE4D (0.41) DRD1POLBPDE4D
SCHEMBL31662983 0.71 PDE4A (0.45) DRD1POLBALDH1A1LMNATP53
SCHEMBL31662955 0.70 SMN1; SMN2 (0.38) DRD1POLBMEN1KMT2AALDH1A1
SCHEMBL3271684 0.70 ENPP3 (0.72) ENPP3ENPP1SMOHSD17B1HSD17B2

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