SCHEMBL31322262

SCHEMBL31322262

c1ccc(C2CCNCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TSHR P16473 1/20 0.48
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
HTR1A P08908 1/20 0.43
CYP2D6 P10635 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 1/20 0.42
HRH1 P35367 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
SCN1A P35498 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL8538844 0.82 DRD2 (0.65) DRD2DRD3HTR1AHTR2A
SCHEMBL1626963 0.82 DRD2 (0.65) DRD2DRD3HTR1AHTR2A
SCHEMBL357358 0.82 DRD2 (0.65) DRD2DRD3HTR1AHTR2A
SCHEMBL3732127 0.82 SLC18A3 (0.50) SLC18A3SIGMAR1TSHRSLC6A2SLC6A3
SCHEMBL4536932 0.82 DRD2 (0.65) DRD2DRD3HTR1AHTR2A
SCHEMBL29698175 0.82 SLC18A3 (0.50) SLC18A3SIGMAR1TSHRSLC6A2SLC6A3
SCHEMBL31322222 0.81
SCHEMBL2602803 0.81
SCHEMBL1195857 0.81 TSHR (0.64) SLC18A3SIGMAR1TSHRSLC6A2SLC6A3
SCHEMBL28845061 0.81 DRD2 (0.63) DRD2DRD3HTR1AHTR2A

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