SCHEMBL7814895

SCHEMBL7814895

COc1cc2ccoc2cc1N1CCN(CC2Cc3ccccc3C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.51
HTR2C P28335 5/20 0.51
HTR2A P28223 4/20 0.51
HTR1A P08908 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADRA2B P18089 1/20 0.40
DRD4 P21917 3/20 0.39

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
SCHEMBL7812220 0.79 DRD2 (0.64) DRD2HTR2CHTR2AHTR1AADRA1D
SCHEMBL7814698 0.78 DRD2 (0.60) DRD2HTR2CHTR2AHTR1AADRA1D
SCHEMBL7805133 0.76 DRD2 (0.55) DRD2HTR2CHTR2AHTR1AADRA1D
SCHEMBL7818178 0.74 HTR3E (0.52) DRD2HTR1ADRD3SIGMAR1
SCHEMBL7820560 0.73 ADRA1D (0.48) DRD2HTR2CHTR2AHTR1AADRA1D
SCHEMBL7820563 0.73 ADRA1D (0.48) DRD2HTR2CHTR2AHTR1AADRA1D
SCHEMBL7238114 0.68 HTR2C (1.00) DRD2HTR2CHTR2ADRD3SIGMAR1
SCHEMBL13648739 0.67 DRD2 (0.65) DRD2HTR2CHTR2AHTR1AADRA1D
Ammonia Solution, Strong SCHEMBL2320933 0.66 DRD2 (0.64) DRD2HTR2CHTR2AHTR1AADRA1D
SCHEMBL19852349 0.65 SIGMAR1 (0.52) DRD2HTR2CHTR2AHTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745598-B1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed