SCHEMBL8768175

SCHEMBL8768175

C[C@@H]1CCO[C@@H](c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2B P41595 2/20 0.40
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8769116 1.00 SLC6A3 (0.40) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL8769338 1.00 SLC6A3 (0.40) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL10257769 0.80 MEN1 (0.39) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL27688131 0.75 TSHR (0.41) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL10291184 0.73 RIPK1 (0.34) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL11804128 0.69 TSHR (0.40) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL14084646 0.69
SCHEMBL10452600 0.69
SCHEMBL13778756 0.68 SLC6A2 (0.53) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR
SCHEMBL17029481 0.68 SLC6A2 (0.53) SLC6A3SMN1; SMN2SLC6A2HTR2BTSHR

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
EP-0581052-B1 Use of tetrahydro-4-methyl-2-phenyl-2h-pyran as perfuming ingredient FIRMENICH & CIE (CH) 1997-09-03 EP claimed