SCHEMBL7805258

SCHEMBL7805258

c1ccc(CC(C2CCC2)N2CCN(c3ccc4c(c3)OCCO4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 5/20 0.47
HTR1A P08908 3/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD4 P21917 4/20 0.44
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ACACB O00763 1/20 0.38
ACHE P22303 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
Hydrochloric Acid SCHEMBL7525468 0.72 DRD4 (0.74) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL7812155 0.68 DRD2 (0.49) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL25224186 0.67 SLC6A4 (0.51) SIGMAR1CYP2D6ACHE
SCHEMBL21397331 0.65 DRD2 (0.50) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL25206928 0.65 ACHE (0.49) CYP2D6LMNAALDH1A1ACHE
SCHEMBL21396908 0.65 DRD2 (0.53) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL14922286 0.65 SMN1; SMN2 (0.59) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL493491 0.65 SLC6A4 (0.44) SIGMAR1POLB
SCHEMBL7812268 0.65 HTR1A (0.67) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL29639702 0.65 DRD2 (1.00) DRD2DRD3HTR1AADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325257-A None JP disclosed
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
CN-1064356-C New Piperazine, piperidine and 1,2,5,6-tetrahydropyridine compounds, process for preparation thereof and pharmaceutical compositions containing them ADIR (FR) 2001-04-11 CN 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
JP-H08325257-A NEW PIPERAZINE, PIPERIDINE AND 1,2,5,6-TETRAHYDROPYRIDINE COMPOUND, AND THEIR PRODUCTION AND MEDICAL COMPOSITION CONTAINING THE SAME ADIR 1996-12-10 JP 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