SCHEMBL12899993

SCHEMBL12899993

CN1C[C@@H]2c3cc(O)ccc3Oc3ccc(Cl)cc3[C@H]2C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.72
DRD3 P35462 5/20 0.72
HTR2A P28223 5/20 0.72
HTR2C P28335 5/20 0.72
ADRA2A P08913 3/20 0.72
ADRA2C P18825 3/20 0.72
DRD1 P21728 3/20 0.72
HRH1 P35367 3/20 0.72
DRD4 P21917 2/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
GABRA1 P14867 1/20 0.72
ADRA2B P18089 1/20 0.72
SLC6A2 P23975 1/20 0.72
ADRA1D P25100 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
ADRA1B P35368 1/20 0.72
HTR2B P41595 1/20 0.72
HTR3A P46098 1/20 0.72

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
SCHEMBL1146208 0.91 DRD2 (0.85) DRD2DRD3HTR2AHTR2CADRA2A
SCHEMBL12900466 0.87 HTR2A (0.71) DRD2DRD3HTR2AHTR2CADRA2A
SCHEMBL12900469 0.85 HTR2A (0.61) DRD2DRD3HTR2AHTR2CADRA2A
Asenapine SCHEMBL4060905 0.84 DRD2 (1.00) DRD2DRD3HTR2AHTR2CADRA2A
Asenapine SCHEMBL3805507 0.84 DRD2 (1.00) DRD2DRD3HTR2AHTR2CADRA2A
Asenapine SCHEMBL2221502 0.84 DRD2 (1.00) DRD2DRD3HTR2AHTR2CADRA2A
Asenapine SCHEMBL8008417 0.84 DRD2 (1.00) DRD2DRD3HTR2AHTR2CADRA2A
SCHEMBL13647032 0.84 DRD1 (0.70) DRD2DRD3HTR2AHTR2CADRA2A
Asenapine SCHEMBL11537117 0.84 DRD2 (1.00) DRD2DRD3HTR2AHTR2CADRA2A
Asenapine SCHEMBL114123 0.84 DRD2 (1.00) DRD2DRD3HTR2AHTR2CADRA2A

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-2011012654-A1 HYDROXYASENAPINE COMPOUNDS, DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME N.V. ORGANON (NL) 2011-02-03 WO disclosed