SCHEMBL3046362

SCHEMBL3046362

COc1cccc([C@H](O)C2CCN(CCc3ccccc3F)CC2)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.74
HTR2C P28335 5/20 0.74
HTR2A P28223 5/20 0.74
DRD1 P21728 4/20 0.74
HRH1 P35367 4/20 0.74
ADRA1B P35368 3/20 0.74
DRD2 P14416 2/20 0.74
ADRA2B P18089 1/20 0.74
OPRK1 P41145 1/20 0.74
KCNQ1 P51787 1/20 0.74
KCNH2 Q12809 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74
HTR7 P34969 5/20 0.62
HTR1D P28221 4/20 0.62
DRD4 P21917 3/20 0.62
HRH2 P25021 3/20 0.62
HTR1B P28222 3/20 0.62
SLC6A4 P31645 3/20 0.62
HTR6 P50406 3/20 0.62
ADRA2C P18825 2/20 0.62

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
SCHEMBL3046365 1.00 HTR2B (0.74) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL4227186 0.85 HTR2B (1.00) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL29356737 0.85 HTR2B (1.00) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL13701277 0.85 HTR2B (1.00) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL340674 0.85 HTR2B (1.00) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL30543449 0.85 HTR2B (1.00) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL675164 0.85 HTR2B (1.00) HTR2BHTR2CHTR2ADRD1HRH1
SCHEMBL6057734 0.85 HTR2B (0.84) HTR2BHTR2CHTR2ADRD1HRH1
Volinanserin SCHEMBL29899671 0.84 HTR2B (0.98) HTR2BHTR2CHTR2ADRD1HRH1
Hydrochloric Acid SCHEMBL9650017 0.84 HTR2B (0.82) HTR2BHTR2CHTR2ADRD1HRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010143925-A METHOD FOR PRODUCING (R)-α-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS HOLDINGS INC 2010-07-01 JP disclosed
WO-1999046245-A3 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL HOECHST MARION ROUSSEL INC (US) 1999-10-21 WO disclosed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 WO disclosed