SCHEMBL9825650

SCHEMBL9825650

c1ccc(N2CCN(CCCOc3cccc4cnccc34)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.57
HTR1A P08908 4/20 0.57
DRD2 P14416 4/20 0.57
DRD1 P21728 3/20 0.57
HTR2A P28223 3/20 0.57
HTR7 P34969 3/20 0.57
ADRA2C P18825 2/20 0.57
DRD5 P21918 2/20 0.57
HRH1 P35367 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
KCNA3 P22001 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
LMNA P02545 1/20 0.53

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 SCHEMBL9825840 0.99 DRD3 (0.56) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL9825914 0.88 HRH3 (0.57) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL9825581 0.87 HRH3 (0.76) DRD3HTR1ADRD2HTR2AHRH1
SCHEMBL9825446 0.80 HTR1A (0.59) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL9826215 0.78 SLC6A4 (0.73) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL8083866 0.76 HTR1A (0.60) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL11263189 0.75 DRD3 (0.58) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL9826050 0.74 KCNA3 (0.55) DRD3HTR1ADRD2HRH3KCNA3
SCHEMBL4519313 0.74 KCNH2 (0.85) DRD3HTR1ADRD2DRD1HTR2A
SCHEMBL26107525 0.74 KCNH2 (0.85) DRD3HTR1ADRD2DRD1HTR2A

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