SCHEMBL9825581

SCHEMBL9825581

c1ccc(N2CCN(CCCOc3cccc4cnccc34)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.76
DRD3 P35462 6/20 0.76
KCNA3 P22001 1/20 0.59
HTR1A P08908 4/20 0.57
HRH1 P35367 6/20 0.56
DRD2 P14416 3/20 0.54
HTR2A P28223 2/20 0.54
TMEM97 Q5BJF2 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
HRH2 P25021 2/20 0.54
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL9825914 0.87 HRH3 (0.57) HRH3DRD3KCNA3HTR1ADRD2
SCHEMBL11826635 0.87 HRH3 (1.00) HRH3DRD3HTR1AHRH1DRD2
SCHEMBL9825650 0.87 DRD3 (0.57) HRH3DRD3KCNA3HTR1AHRH1
Hydrochloric Acid SCHEMBL9825840 0.86 DRD3 (0.56) HRH3DRD3KCNA3HTR1AHRH1
SCHEMBL9826331 0.80 DRD3 (0.70) HRH3DRD3HTR1AHRH1DRD2
SCHEMBL9826050 0.78 KCNA3 (0.55) HRH3DRD3KCNA3HTR1ADRD2
Hydrochloric Acid SCHEMBL9826723 0.78 KCNA3 (0.54) HRH3DRD3KCNA3HTR1ADRD2
SCHEMBL11827608 0.76 HRH3 (0.78) HRH3DRD3HTR1ADRD2HTR2A
SCHEMBL10362365 0.74 KCNA3 (0.50) HRH3DRD3KCNA3HTR1ADRD2
SCHEMBL5753621 0.73 KCNA3 (0.46) HRH3DRD3KCNA3HTR1ADRD2

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