SCHEMBL8009099

SCHEMBL8009099

C=CCN1CC2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.66
HTR2C P28335 6/20 0.66
DRD2 P14416 6/20 0.66
DRD3 P35462 5/20 0.66
DRD1 P21728 5/20 0.66
HRH1 P35367 4/20 0.66
ADRA2A P08913 3/20 0.66
ADRA2C P18825 3/20 0.66
CHRM2 P08172 1/20 0.66
HTR1A P08908 1/20 0.66
GABRA1 P14867 1/20 0.66
ADRA2B P18089 1/20 0.66
DRD4 P21917 1/20 0.66
SLC6A2 P23975 1/20 0.66
ADRA1D P25100 1/20 0.66
SLC6A4 P31645 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
HTR2B P41595 1/20 0.66
HTR3A P46098 1/20 0.66

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
SCHEMBL2010012 1.00 HTR2A (0.66) HTR2AHTR2CDRD2DRD3DRD1
SCHEMBL2003487 0.83 DRD2 (0.67) HTR2AHTR2CDRD2DRD3DRD1
SCHEMBL8006670 0.83 DRD2 (0.67) HTR2AHTR2CDRD2DRD3DRD1
SCHEMBL12197603 0.83 DRD2 (0.67) HTR2AHTR2CDRD2DRD3DRD1
SCHEMBL17589465 0.81 HTR2A (0.76) HTR2AHTR2CDRD2DRD3DRD1
SCHEMBL2181419 0.80 HTR2A (0.70) HTR2AHTR2CDRD2DRD3DRD1
SCHEMBL8013961 0.80 HTR2A (0.70) HTR2AHTR2CDRD2DRD3DRD1
Asenapine SCHEMBL114123 0.80 DRD2 (1.00) HTR2AHTR2CDRD2DRD3DRD1
Asenapine SCHEMBL3805507 0.80 DRD2 (1.00) HTR2AHTR2CDRD2DRD3DRD1
Asenapine SCHEMBL4060905 0.80 DRD2 (1.00) HTR2AHTR2CDRD2DRD3DRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240492-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS ORGANON NV (NL) 2011-10-05 EP disclosed
WO-2009087058-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2009-07-16 WO disclosed