SCHEMBL4739767

SCHEMBL4739767

CN(Cc1ccccc1)C(CCO)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.42
ADRA2B P18089 3/20 0.41
SLC6A2 P23975 3/20 0.41
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 3/20 0.41
ADRA1A P35348 2/20 0.41
OPRK1 P41145 2/20 0.41
ADRA2C P18825 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
TMEM97 Q5BJF2 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL5325814 0.92 TMEM97 (0.42) UTS2RADRA2BSLC6A2HTR2ASLC6A4
SCHEMBL5164752 0.89 HTR2A (0.47) ADRA2BSLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL5321171 0.80 HTT (0.44) UTS2RSIGMAR1TMEM97CYP2D6CYP2C9
SCHEMBL5323549 0.78 GAA (0.43) ADRA2BSLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL4739377 0.77 AOC3 (0.44) ADRA2BSLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL4740861 0.77 TNF (0.50) L3MBTL1LMNAHTTNPSR1
SCHEMBL14017766 0.76 ADRA2B (0.50) ADRA2BSLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL13452589 0.76 ADRA2B (0.50) ADRA2BSLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL5319055 0.75 NPSR1 (0.47) UTS2RSIGMAR1TMEM97CYP2D6CYP2C9
SCHEMBL4740860 0.75 ABCB11 (0.47) TSHRPOLBRXFP1CYP1A2

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-2008081477-A1 3-ARYLOXY 3-SUBSTITUTED PROPANAMINES NATCO PHARMA LIMITED (IN) 2008-07-10 WO disclosed