SCHEMBL7805201

SCHEMBL7805201

COc1cc2c(cc1N1CCN(CC3CCc4ccccc43)CC1)OCC2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA2B P18089 1/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL8639466 0.85 SIGMAR1 (0.53) DRD2SIGMAR1DRD4
SCHEMBL7805133 0.85 DRD2 (0.55) HTR2CADRA2AADRA2CADRA2BHTR1A
SCHEMBL7811838 0.84 HTR2C (0.48) HTR2C
SCHEMBL9041264 0.84 SIGMAR1 (0.50) HTR2CDRD2SIGMAR1DRD4
SCHEMBL7822917 0.84 HTR2C (0.41) HTR2CADRA2AADRA2CADRA2BHTR1A
SCHEMBL9174181 0.75
SCHEMBL9038014 0.75 HTR2C (0.41) HTR2CADRA2AADRA2CADRA2BHTR1A
SCHEMBL7812220 0.75 DRD2 (0.64) HTR2CADRA2AADRA2CADRA2BHTR1A
SCHEMBL8637881 0.74 KCNH2 (0.34)
SCHEMBL19852300 0.72 HTR7 (0.47) HTR2CHTR1ADRD2SIGMAR1

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 4 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
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