SCHEMBL10485697

SCHEMBL10485697

OC(CCN1CCN(c2ccc(Cl)cc2)CC1)COc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.69
HTR1A P08908 4/20 0.65
DRD2 P14416 1/20 0.65
HTR2A P28223 1/20 0.65
DRD3 P35462 1/20 0.65
TMEM97 Q5BJF2 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
KCNH2 Q12809 2/20 0.62
MAPT P10636 7/20 0.61
MAPK1 P28482 2/20 0.59
RECQL P46063 1/20 0.57
HTR7 P34969 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NLRP3 Q96P20 1/20 0.54
SMN1; SMN2 Q16637 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
SCHEMBL10485776 0.95 KMT2A (0.76) KMT2AHTR1ADRD2HTR2ADRD3
SCHEMBL10486189 0.94 KCNH2 (0.70) KMT2AHTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL10485620 0.93 KCNH2 (0.68) KMT2AHTR1ADRD2HTR2ADRD3
SCHEMBL10485545 0.91 MAPT (0.63) KMT2AHTR1ADRD2HTR2ADRD3
SCHEMBL10486120 0.88 MAPT (0.65) KMT2AHTR1AKCNH2MAPTMAPK1
SCHEMBL10485665 0.88 HTR1A (0.67) KMT2AHTR1ADRD2HTR2ADRD3
SCHEMBL10700125 0.88 HTR1A (0.67) KMT2AHTR1ADRD2HTR2ADRD3
SCHEMBL10485775 0.88 MAPT (0.79) KMT2AHTR1ADRD2KCNH2MAPT
SCHEMBL10485975 0.88 TDP1 (0.55) KMT2AHTR1ADRD2HTR2ADRD3
SCHEMBL10485888 0.88 HTR1A (0.64) KMT2AHTR1ADRD2HTR2ADRD3

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