SCHEMBL3729409

SCHEMBL3729409

COc1ccc(CN2CC3c4ccccc4Oc4ccccc4C3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
DRD3 P35462 5/20 0.57
SIGMAR1 Q99720 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
DRD4 P21917 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
GABRA1 P14867 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1D P25100 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL8002235 0.91 DRD2 (0.61) DRD2DRD3SIGMAR1DRD4HRH2
SCHEMBL2006925 0.91 DRD2 (0.61) DRD2DRD3SIGMAR1DRD4HRH2
SCHEMBL8316872 0.77 DRD2 (0.67) DRD2DRD3SIGMAR1SMN1; SMN2DRD4
SCHEMBL8316870 0.77 DRD2 (0.67) DRD2DRD3SIGMAR1SMN1; SMN2DRD4
SCHEMBL8316875 0.77 DRD2 (0.67) DRD2DRD3SIGMAR1SMN1; SMN2DRD4
SCHEMBL2006845 0.77 HTR2A (0.56) DRD2DRD3DRD4HRH2HTR2A
SCHEMBL12413270 0.77 HTR2A (0.56) DRD2DRD3DRD4HRH2HTR2A
SCHEMBL8002261 0.77 HTR2A (0.56) DRD2DRD3DRD4HRH2HTR2A
SCHEMBL6572711 0.76 SIGMAR1 (0.64) DRD2DRD3SIGMAR1DRD4HRH2
SCHEMBL8314144 0.75 DRD2 (0.60) DRD2DRD3DRD4HTR2AHTR2C

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-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. Organon (NL) 2010-10-20 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