SCHEMBL8028820

SCHEMBL8028820

CN(C)[C@H](CC1(O)CCCCC1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.52
SLC6A4 P31645 7/20 0.52
SLC6A3 Q01959 6/20 0.52
OPRM1 P35372 2/20 0.52
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL902452 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3OPRM1ESR1
SCHEMBL8028845 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3OPRM1ESR1
SCHEMBL4627006 0.86 OPRM1 (0.39) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL4632472 0.86 CHRNB2 (0.43) SLC6A2SLC6A4SLC6A3LMNAHRH3
SCHEMBL5086267 0.85 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3OPRM1ESR1
SCHEMBL4967524 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL2761798 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL902225 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Hydrochloric Acid SCHEMBL5091331 0.84 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3OPRM1ESR1
Hydrochloric Acid SCHEMBL3349919 0.82 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA

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-2000076955-A1 ENANTIOMERS OF O-DESMETHYL VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-21 WO disclosed