SCHEMBL8007974

SCHEMBL8007974

COc1ccccc1CN1CC2c3cc(Cl)ccc3Oc3ccccc3[C@H]2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.60
HTR2A P28223 5/20 0.60
HTR2C P28335 5/20 0.60
DRD3 P35462 5/20 0.60
ADRA2A P08913 3/20 0.60
ADRA2C P18825 3/20 0.60
DRD1 P21728 3/20 0.60
HRH1 P35367 3/20 0.60
DRD4 P21917 2/20 0.60
HTR1A P08908 2/20 0.60
HTR2B P41595 2/20 0.60
CHRM2 P08172 1/20 0.60
GABRA1 P14867 1/20 0.60
ADRA2B P18089 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1D P25100 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR3A P46098 1/20 0.60

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
SCHEMBL2010863 1.00 DRD2 (0.60) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL2006845 0.90 HTR2A (0.56) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL8002261 0.90 HTR2A (0.56) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL12503725 0.87 DRD2 (0.43) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL12413267 0.85 HTR2A (0.64) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL8002235 0.83 DRD2 (0.61) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL2006925 0.83 DRD2 (0.61) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL12413270 0.83 HTR2A (0.56) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL2003487 0.81 DRD2 (0.67) DRD2HTR2AHTR2CDRD3ADRA2A
SCHEMBL8006670 0.81 DRD2 (0.67) DRD2HTR2AHTR2CDRD3ADRA2A

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