SCHEMBL9038014

SCHEMBL9038014

COc1cc2c(cc1N1CCN(CC3CCc4sccc4C3)CC1)OCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
DRD2 P14416 5/20 0.40
HTR2A P28223 4/20 0.40
SIGMAR1 Q99720 3/20 0.37
DRD3 P35462 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ADRA2B P18089 1/20 0.36

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
SCHEMBL7805133 0.83 DRD2 (0.55) HTR2CDRD2HTR2ASIGMAR1DRD3
SCHEMBL8307276 0.75
SCHEMBL7805201 0.75 HTR2C (0.43) HTR2CDRD2HTR2ASIGMAR1DRD3
SCHEMBL7812220 0.73 DRD2 (0.64) HTR2CDRD2HTR2ASIGMAR1DRD3
SCHEMBL7822917 0.71 HTR2C (0.41) HTR2CADRA2AADRA2CHTR1AADRA1A
SCHEMBL8307272 0.70 DRD2 (0.37) HTR2CDRD2HTR2ASIGMAR1DRD3
SCHEMBL8306513 0.70 DRD2 (0.37) HTR2CDRD2HTR2ASIGMAR1DRD3
SCHEMBL7811838 0.69 HTR2C (0.48) HTR2C
SCHEMBL7818312 0.69 GAA (0.35) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL7805273 0.69 HTR3A (0.49) HTR2CDRD2SIGMAR1DRD3HTR1A

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
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed