SCHEMBL4253544

SCHEMBL4253544

CN1C[C@@H]2c3ccccc3Oc3ccccc3[C@@H]2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.73
HTR2C P28335 5/20 0.73
HRH1 P35367 3/20 0.73
CHRM2 P08172 2/20 0.73
HTR1A P08908 1/20 0.73
ADRA2A P08913 1/20 0.73
DRD2 P14416 1/20 0.73
GABRA1 P14867 1/20 0.73
ADRA2B P18089 1/20 0.73
ADRA2C P18825 1/20 0.73
DRD1 P21728 1/20 0.73
DRD4 P21917 1/20 0.73
SLC6A2 P23975 1/20 0.73
ADRA1D P25100 1/20 0.73
SLC6A4 P31645 1/20 0.73
ADRA1A P35348 1/20 0.73
ADRA1B P35368 1/20 0.73
DRD3 P35462 1/20 0.73
HTR2B P41595 1/20 0.73
HTR3A P46098 1/20 0.73

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
SCHEMBL3716425 1.00 HTR2A (0.73) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL1146217 1.00 HTR2A (0.73) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL12856888 1.00 HTR2A (0.73) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL12072060 1.00 HTR2A (0.73) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL11364232 0.88 CHRM2 (0.60) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL12437778 0.87 HTR2A (0.63) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL8034632 0.87 HTR2A (0.72) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL801272 0.87 HTR2A (0.72) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL11372890 0.87 HTR2A (0.72) HTR2AHTR2CHRH1CHRM2HTR1A
SCHEMBL12412822 0.87 HTR2A (0.72) HTR2AHTR2CHRH1CHRM2HTR1A

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-2009135091-A1 USE OF ASENAPINE AND RELATED COMPOUNDS FOR THE TREATMENT OF NEURONAL OR NON-NEURONAL DISEASES OR CONDITIONS MEDIVATION TECHNOLOGIES, INC. (US) 2009-11-05 WO claimed