SCHEMBL31717656

SCHEMBL31717656

CN(C(=O)OCc1ccccc1)C1CCC2(CC1)CC2(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
CCR5 P51681 1/20 0.44
TMEM97 Q5BJF2 2/20 0.41
CHRM5 P08912 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TSPO P30536 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL15751249 0.85 SIGMAR1 (0.53) SIGMAR1CCR5TMEM97CHRM5HTR1A
SCHEMBL1058888 0.84 SIGMAR1 (0.60) SIGMAR1CCR5CHRM5HTR2CALDH1A1
SCHEMBL27866758 0.82 SIGMAR1 (0.51) SIGMAR1CCR5TMEM97CHRM5HTR1A
SCHEMBL8029227 0.82 SIGMAR1 (0.64) SIGMAR1CCR5ALDH1A1ENPP2
SCHEMBL21997466 0.81 SIGMAR1 (0.50) SIGMAR1CCR5TMEM97CHRM5HTR1A
SCHEMBL21998065 0.81 SIGMAR1 (0.46) SIGMAR1CCR5TMEM97CHRM5HTR1A
SCHEMBL21998108 0.81 SIGMAR1 (0.49) SIGMAR1CCR5TMEM97CHRM5HTR1A
SCHEMBL21997212 0.81 SIGMAR1 (0.49) SIGMAR1CCR5TMEM97CHRM5HTR1A
SCHEMBL6356355 0.81 SIGMAR1 (0.49) SIGMAR1CCR5ALDH1A1ENPP2
SCHEMBL31734241 0.81 SIGMAR1 (0.49) SIGMAR1CCR5TMEM97CHRM5HTR1A

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-2025224168-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-30 WO disclosed