SCHEMBL7818178

SCHEMBL7818178

COc1cc2ccoc2cc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
ADRB1 P08588 1/20 0.50
DRD2 P14416 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
HTR6 P50406 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NCF1 P14598 1/20 0.47
HTR7 P34969 4/20 0.46
DYRK1A Q13627 1/20 0.45
HTR1A P08908 1/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL31651906 0.78 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL6298232 0.77 DYRK1A (0.47) HTR6LMNAMAPTDYRK1A
SCHEMBL28803586 0.75 HTR3A (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL28804723 0.74 MAPT (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7814895 0.74 DRD2 (0.51) DRD2DRD3SIGMAR1HTR1A
SCHEMBL4580168 0.73 MCL1 (0.55) CYP2C19LMNAMAPT
SCHEMBL19709317 0.71 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19709336 0.71 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7812383 0.71 HTR3A (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30018039 0.70 MCL1 (0.47) CYP2C19LMNAMAPT

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