SCHEMBL27564483

SCHEMBL27564483

COc1cccc(N2CCN(CCN3CCC(c4c[nH]c5ccccc45)CC3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.60
SLC6A4 P31645 3/20 0.60
HTR2A P28223 3/20 0.57
HTR2C P28335 1/20 0.57
DRD3 P35462 1/20 0.57
DRD2 P14416 3/20 0.56
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56
ADRA1D P25100 3/20 0.55
CYP2D6 P10635 1/20 0.54

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
Hydrochloric Acid SCHEMBL9032205 0.84 HTR1A (0.57) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL7461768 0.81 HTR1A (0.60) HTR1ASLC6A4DRD3DRD2ADRA1D
SCHEMBL14306777 0.81 ADRA1D (0.80) SLC6A4ADRA1DCYP2D6
SCHEMBL8554480 0.78 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7
Hydrochloric Acid SCHEMBL9029293 0.78 ADRA1D (0.60) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL8555335 0.78 HTR1A (0.67) HTR1ASLC6A4HTR2ADRD3DRD2
SCHEMBL8555085 0.77 HTR1A (0.73) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL11113767 0.77 GAA (0.59) HTR1ASLC6A4
SCHEMBL4468600 0.76 ADRA1D (0.72) SLC6A4ADRA1DCYP2D6
SCHEMBL8558005 0.76 HTR1A (0.77) HTR1ASLC6A4HTR2ADRD2HTR7

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
CN-1307573-A Indolyl derivatives and serotonergic agents AMERICAN HOME PROD (US) 2001-08-08 CN claimed