SCHEMBL17444583

SCHEMBL17444583

CN(C)CCCn1c2c[c]ccc2c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.59
DRD3 P35462 2/20 0.50
SLC6A2 P23975 2/20 0.50
HRH1 P35367 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD4 P21917 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
AVPR2 P30518 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL541688 0.86 CYP2D6 (0.74) CYP2D6DRD3SLC6A2HRH1CHRM2
SCHEMBL29907915 0.86 CYP2D6 (0.74) CYP2D6DRD3SLC6A2HRH1CHRM2
SCHEMBL19179335 0.82 PGR (0.51) CNR2FABP4FABP5
SCHEMBL6219453 0.79 CYP2D6 (0.65) CYP2D6DRD3SLC6A2HRH1CHRM2
SCHEMBL10702688 0.77 SLC6A4 (0.64) CYP2D6DRD3SLC6A2HRH1CHRM2
SCHEMBL9776455 0.77 ALDH1A1 (0.55) ALDH1A1
SCHEMBL11826363 0.76 CYP2D6 (0.59) CYP2D6DRD3SLC6A2HRH1CHRM2
SCHEMBL975310 0.75 PGR (0.44) CNR2ALDH1A1
Fantridone SCHEMBL1683047 0.75 PGR (0.69) CYP2D6DRD3SLC6A2HRH1CHRM2
SCHEMBL11142970 0.75 PGR (0.56) CNR2ALDH1A1FABP4FABP5

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-2016008010-A1 FUNCTIONALISED AND SUBSTITUTED CARBAZOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed