SCHEMBL7817070

SCHEMBL7817070

c1ccc2c(CCN3CCN(c4ccc5c(c4)OCCO5)CC3)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.59
ADRA1D P25100 4/20 0.52
ADRA1A P35348 4/20 0.52
ADRA1B P35368 4/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2C P18825 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
DRD4 P21917 1/20 0.48
SLC6A4 P31645 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8304293 0.81 DRD2 (0.70) HTR1ADRD2
SCHEMBL7815594 0.81 SLC6A4 (0.46) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7814691 0.75 SIGMAR1 (0.43) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL28784019 0.74 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL8545434 0.73 DRD2 (0.40) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7521522 0.73 ALDH1A1 (0.63) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL8547387 0.73 HTR1A (0.42) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL2114371 0.72 DRD2 (0.55) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL9378687 0.72 DRD3 (0.64) HTR1ADRD2DRD3SIGMAR1SLC6A4
SCHEMBL9232873 0.72 HRH3 (0.59) ADRA1DADRA1AADRA1BSIGMAR1

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 6 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
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
CN-1142494-A New Piperazine, piperidine and 1,2,5,6-tetrahydropyridine compounds, process for preparation thereof and pharmaceutical compositions containing them ADIR (FR) 1997-02-12 CN 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