SCHEMBL31322237

SCHEMBL31322237

OC1(c2ccc(F)cc2)CCCNCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
SIGMAR1 Q99720 1/20 0.39
P2RY14 Q15391 1/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 3/20 0.38
DRD3 P35462 2/20 0.37
DRD4 P21917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL615480 0.93 DRD2 (0.66) DRD2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL1765160 0.91 DRD2 (0.63) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL1239489 0.86 DRD2 (0.41) DRD2OPRM1OPRD1OPRK1OPRL1
Tert-Butyl Formate SCHEMBL27677885 0.84 DRD2 (0.42) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3892639 0.83 DRD2 (0.54) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3892761 0.83 DRD2 (0.54) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL18306930 0.82 OPRM1 (0.50) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6154699 0.82 OPRM1 (0.50) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL654604 0.82 DRD2 (0.86) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3549471 0.81 DRD2 (0.52) DRD2OPRM1OPRD1OPRK1OPRL1

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