SCHEMBL10485665

SCHEMBL10485665

OC(CCN1CCN(c2ccc(F)cc2)CC1)COc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.67
DRD2 P14416 2/20 0.67
HTR2A P28223 2/20 0.67
DRD3 P35462 2/20 0.67
DRD1 P21728 1/20 0.67
DRD5 P21918 1/20 0.67
KCNH2 Q12809 2/20 0.63
MAPT P10636 4/20 0.62
HRH1 P35367 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
CACNA1G O43497 2/20 0.60
ABCB1 P08183 5/20 0.57
HTR7 P34969 1/20 0.57
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SMN1; SMN2 Q16637 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
SCHEMBL10700125 1.00 HTR1A (0.67) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL10485627 0.98 HTR1A (0.64) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL10485746 0.94 MEN1 (0.67) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL10486189 0.94 KCNH2 (0.70) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL10486107 0.93 MEN1 (0.69) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL10485620 0.93 KCNH2 (0.68) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL10485663 0.88 MEN1 (0.64) MAPTKMT2AMEN1CACNA1GABCB1
SCHEMBL10486120 0.88 MAPT (0.65) HTR1AKCNH2MAPTKMT2AMEN1
SCHEMBL10485775 0.88 MAPT (0.79) HTR1ADRD2KCNH2MAPTKMT2A
SCHEMBL10485969 0.88 MEN1 (0.77) HTR1AMAPTKMT2AMEN1CACNA1G

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US claimed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP claimed
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US disclosed
US-4806555-A CARDIAC ARRHYTHMIA INHIBITOR A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-21 US disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed