SCHEMBL14732502

SCHEMBL14732502

N#Cc1ccc2c(c1)N(CCCO)c1ccccc1CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.57
HTR2A P28223 4/20 0.49
SLC6A2 P23975 5/20 0.46
CHRM2 P08172 5/20 0.46
CHRM1 P11229 5/20 0.46
DRD3 P35462 5/20 0.46
CYP3A4 P08684 4/20 0.46
ADRA1A P35348 4/20 0.46
SLC6A3 Q01959 4/20 0.46
KCNH2 Q12809 4/20 0.46
DRD2 P14416 4/20 0.46
CHRM3 P20309 4/20 0.46
SLC22A1 O15245 3/20 0.46
CYP2D6 P10635 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
HTR2C P28335 3/20 0.46
HRH1 P35367 3/20 0.46
OPRK1 P41145 3/20 0.46
HTR2B P41595 3/20 0.46

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
Cianopramine SCHEMBL209730 0.84 SLC6A4 (0.78) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL14723083 0.84 SLC6A4 (0.55) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL14723391 0.84 SLC6A4 (0.55) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL6961973 0.83 HTR2A (0.68) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL6963720 0.80 HTR2A (0.53) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL8195707 0.80 HTR2A (0.70) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL23700750 0.79 SLC6A4 (0.46) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL29833634 0.79 SLC6A4 (0.46) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL14721753 0.79 SLC6A4 (0.51) SLC6A4HTR2ASLC6A2CHRM2CHRM1
SCHEMBL7168298 0.78 HTR2A (0.66) SLC6A4HTR2ASLC6A2CHRM2CHRM1

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-2013026455-A1 PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS AARHUS UNIVERSITET (DK) 2013-02-28 WO disclosed