SCHEMBL7814698

SCHEMBL7814698

c1ccc2c(c1)CC(CN1CCN(c3ccc4ccoc4c3)CC1)C2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
SIGMAR1 Q99720 3/20 0.60
HTR1A P08908 2/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2C P18825 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2C P28335 5/20 0.46
HTR2A P28223 2/20 0.38
DRD4 P21917 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL7814895 0.78 DRD2 (0.51) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL6963642 0.75 SIGMAR1 (0.86) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7810984 0.75 DRD2 (1.00) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL29639702 0.75 DRD2 (1.00) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7810855 0.73 SIGMAR1 (0.78) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7214291 0.73 DRD2 (0.57) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7805016 0.73 SIGMAR1 (0.78) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7805322 0.70 DRD2 (0.71) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7805320 0.70 SIGMAR1 (0.71) DRD2SIGMAR1HTR1AADRA2AADRA2C
SCHEMBL7814988 0.68 HTR3E (0.56) SIGMAR1HTR1AHTR2CHTR2ASLC6A4

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