SCHEMBL16622716

SCHEMBL16622716

CNCCCN1C2=C(CCC=C2)CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.67
SLC6A4 P31645 9/20 0.67
CHRM2 P08172 5/20 0.67
CHRM1 P11229 5/20 0.67
DRD2 P14416 5/20 0.67
CHRM3 P20309 5/20 0.67
DRD3 P35462 5/20 0.67
HTR2A P28223 4/20 0.67
HRH1 P35367 4/20 0.67
SLC6A3 Q01959 4/20 0.67
CYP3A4 P08684 3/20 0.67
SLC22A1 O15245 3/20 0.67
CYP2D6 P10635 3/20 0.67
ADRA2B P18089 3/20 0.67
ADRA2C P18825 3/20 0.67
HTR2C P28335 3/20 0.67
ADRA1A P35348 3/20 0.67
OPRK1 P41145 3/20 0.67
HTR2B P41595 3/20 0.67
MTOR P42345 3/20 0.67

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
Desipramine SCHEMBL29379525 0.81 SLC6A4 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL5072939 0.81 SLC6A4 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL34384 0.81 SLC6A4 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL29085912 0.80 SLC6A4 (0.97) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL41992 0.80 SLC6A2 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL2944786 0.80 SLC6A2 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL5501781 0.80 SLC6A2 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL29364790 0.80 SLC6A2 (1.00) SLC6A2SLC6A4CHRM2CHRM1DRD2
Desipramine SCHEMBL41993 0.79 SLC6A4 (0.94) SLC6A2SLC6A4CHRM2CHRM1DRD2
SCHEMBL25835838 0.76 SETD7 (0.37) SLC6A2SLC6A4CHRM2CHRM1DRD2

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
EP-2012793-B1 USE OF A TRICYCLIC COMPOUND FOR PREPARING A MEDICAMENT FOR TREATING SKELETAL MUSCLE DEGENERATION OF GENETIC ORIGIN ASS FRANÇAISE CONTRE LES MYOPATHIES (FR) 2015-04-08 EP disclosed