SCHEMBL9825446

SCHEMBL9825446

Oc1nccc2c(OCCCN3CCN(c4ccccn4)CC3)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
DRD3 P35462 5/20 0.57
DRD2 P14416 4/20 0.57
DRD1 P21728 3/20 0.57
HTR2A P28223 3/20 0.57
ADRA2C P18825 2/20 0.57
DRD5 P21918 2/20 0.57
HTR7 P34969 2/20 0.57
HRH1 P35367 2/20 0.57
HRH3 Q9Y5N1 5/20 0.53
POLB P06746 1/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL9825650 0.80 DRD3 (0.57) HTR1AADRA1DADRA1AADRA1BDRD3
Hydrochloric Acid SCHEMBL9825840 0.80 DRD3 (0.56) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL8083866 0.76 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL11263189 0.75 DRD3 (0.58) HTR1AADRA1DADRA1AADRA1BDRD3
SCHEMBL26108725 0.74 KCNH2 (0.85) HTR1ADRD3DRD2DRD1HTR2A
SCHEMBL4519313 0.74 KCNH2 (0.85) HTR1ADRD3DRD2DRD1HTR2A
SCHEMBL26107525 0.74 KCNH2 (0.85) HTR1ADRD3DRD2DRD1HTR2A
SCHEMBL10573689 0.74 RAB9A (0.50) ALDH1A1MAPTALOX15TSHRHSD17B10
SCHEMBL9492781 0.73 KCNH2 (0.69) HTR1ADRD3DRD2DRD1HTR2A
Hydrochloric Acid SCHEMBL26108256 0.73 KCNH2 (0.83) HTR1ADRD3DRD2DRD1HTR2A

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