SCHEMBL9825397

SCHEMBL9825397

c1cnc(N2CCN(CCCOc3ccc4cc[nH]c4c3)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
DRD3 P35462 3/20 0.62
HTR1A P08908 1/20 0.62
DRD1 P21728 1/20 0.62
HTR2A P28223 1/20 0.62
HRH3 Q9Y5N1 7/20 0.59
MAOB P27338 4/20 0.57
HRH1 P35367 1/20 0.55

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
SCHEMBL16559649 0.84 SLC6A4 (0.67) DRD2DRD3HTR1ADRD1HTR2A
SCHEMBL9825515 0.82 DRD3 (0.66) DRD2DRD3HTR1ADRD1HTR2A
SCHEMBL9825781 0.80 HRH3 (0.66) DRD2DRD3HTR1ADRD1HTR2A
SCHEMBL16559651 0.80 SLC6A2 (0.57) DRD2DRD3DRD1HTR2A
SCHEMBL16559650 0.78 DRD2 (0.66) DRD2DRD3DRD1
SCHEMBL10517251 0.77 DRD2 (0.75) DRD2DRD3HTR1ADRD1HTR2A
SCHEMBL16559712 0.77 DRD2 (0.61) DRD2DRD3
SCHEMBL16559711 0.77 DRD2 (0.70) DRD2DRD3HTR1ADRD1HTR2A
SCHEMBL16559645 0.77 SLC6A2 (0.66) DRD2DRD3HRH3
SCHEMBL9825122 0.76 HRH3 (0.61) DRD2DRD3HTR1ADRD1HTR2A

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