SCHEMBL9826322

SCHEMBL9826322

c1ccc(N2CCN(CCCOc3ccc4ncccc4c3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.76
HRH1 P35367 6/20 0.69
HRH3 Q9Y5N1 3/20 0.69
SLC6A2 P23975 4/20 0.63
SLC6A4 P31645 4/20 0.63
HTR1A P08908 4/20 0.62
HTR2A P28223 4/20 0.62
DRD2 P14416 4/20 0.62
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
ADRA1A P35348 2/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1B P35368 1/20 0.59
KCNH2 Q12809 1/20 0.59
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
Water SCHEMBL9825773 0.99 DRD3 (0.74) DRD3HRH1HRH3SLC6A2SLC6A4
SCHEMBL9826117 0.91 DRD3 (0.76) DRD3HRH1HRH3SLC6A2SLC6A4
SCHEMBL9825122 0.85 HRH3 (0.61) DRD3HRH1HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9825766 0.83 HRH3 (0.58) DRD3HRH1HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9825777 0.83 HRH3 (0.58) DRD3HRH1HRH3SLC6A2SLC6A4
SCHEMBL9825515 0.79 DRD3 (0.66) DRD3HRH1HRH3SLC6A2SLC6A4
SCHEMBL9825963 0.78 SLC6A4 (0.73) DRD3HRH1HRH3SLC6A2SLC6A4
SCHEMBL11306048 0.78 DRD3 (0.70) DRD3HRH1HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9826980 0.77 SLC6A4 (0.71) DRD3HRH1HRH3SLC6A2SLC6A4
SCHEMBL8320637 0.77 CHKA (0.64) DRD3HRH1HTR1AHTR2ADRD2

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
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed
US-4803203-A SCHIZOPHRENIA, NEUOLEPTIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-02-07 US claimed
EP-0237781-A2 Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents WARNER-LAMBERT COMPANY (US) 1987-09-23 EP claimed
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4803203-A SCHIZOPHRENIA, NEUOLEPTIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-02-07 US disclosed
US-4704390-A SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1987-11-03 US disclosed
EP-0237781-A2 Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents WARNER-LAMBERT COMPANY (US) 1987-09-23 EP disclosed