SCHEMBL31322210

SCHEMBL31322210

C[C@H](c1ccccc1)N1CC[C@H](c2ccc(OC(F)(F)F)cc2)OCC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
OPRM1 P35372 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
LIPE Q05469 1/20 0.40
ACHE P22303 1/20 0.39
TACR1 P25103 2/20 0.38
CCR5 P51681 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CCR6 P51684 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL31322202 1.00 HSD11B1 (0.46) HSD11B1OPRM1HCRTR1HCRTR2LIPE
SCHEMBL31322241 0.88 HSD11B1 (0.44) HSD11B1OPRM1HCRTR1HCRTR2LIPE
SCHEMBL31322214 0.88 HSD11B1 (0.44) HSD11B1OPRM1HCRTR1HCRTR2LIPE
SCHEMBL31322195 0.88 HSD11B1 (0.44) HSD11B1OPRM1HCRTR1HCRTR2LIPE
SCHEMBL2117117 0.82 MDM2 (0.45) HSD11B1KMT2A
SCHEMBL31322239 0.77 OPRM1 (0.44) HSD11B1OPRM1ACHEKMT2AMEN1
SCHEMBL2295538 0.75 KMT2A (0.46) HSD11B1KMT2A
SCHEMBL2295755 0.75 KMT2A (0.46) HSD11B1KMT2A
SCHEMBL2295888 0.75 KMT2A (0.46) HSD11B1KMT2A
SCHEMBL2297025 0.75 KMT2A (0.46) HSD11B1KMT2A

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