SCHEMBL31322239

SCHEMBL31322239

[2H]C1([2H])CO[C@@H](c2ccc(OC(F)(F)F)cc2)CCN1[C@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HSD11B1 P28845 1/20 0.37
ACHE P22303 5/20 0.37
BCHE P06276 4/20 0.37
BACE1 P56817 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 2/20 0.36
CYP2D6 P10635 1/20 0.36
GRM2 Q14416 1/20 0.36
CCR6 P51684 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL31322228 0.80 OPRM1 (0.47) OPRM1DRD4DRD2DRD3HSD11B1
SCHEMBL31322202 0.77 HSD11B1 (0.46) OPRM1HSD11B1ACHEMEN1KMT2A
SCHEMBL31322210 0.77 HSD11B1 (0.46) OPRM1HSD11B1ACHEMEN1KMT2A
SCHEMBL2602809 0.74 CYP2D6 (0.54) OPRM1DRD4DRD3LTA4HCYP2D6
SCHEMBL2605879 0.73 CYP2D6 (0.49) OPRM1DRD4LTA4HCYP2D6
SCHEMBL2115070 0.72 CYP2D6 (0.47) OPRM1DRD4LTA4HCYP2D6
SCHEMBL31322241 0.69 HSD11B1 (0.44) OPRM1HSD11B1ACHEMEN1KMT2A
SCHEMBL31322214 0.69 HSD11B1 (0.44) OPRM1HSD11B1ACHEMEN1KMT2A
SCHEMBL31322195 0.69 HSD11B1 (0.44) OPRM1HSD11B1ACHEMEN1KMT2A
SCHEMBL2115059 0.69 CYP2D6 (0.44) OPRM1LTA4HCYP2D6KCNH2

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-2025038930-A1 AZEPANE AND PYRROLIDINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed