SCHEMBL10345233

SCHEMBL10345233

CCOc1ccccc1OCC1(O)CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GLA P06280 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDK2 Q15119 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL10345634 0.91 SIGMAR1 (0.45) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
Hydrochloric Acid SCHEMBL10345568 0.90 SIGMAR1 (0.44) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL10344521 0.80 PIM1 (0.46) SLC6A4ALDH1A1HPGDPIM1PIM2
Hydrochloric Acid SCHEMBL10345277 0.79 PIM1 (0.45) SLC6A4ADRB2HTR1AHTR2ASIGMAR1
SCHEMBL10345275 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL10345284 0.78 PIM1 (0.41) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
Hydrochloric Acid SCHEMBL10345210 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL5213657 0.76 PIM1 (0.47) SLC6A2SLC6A4HTR1AGLASIGMAR1
SCHEMBL10345698 0.75 ALDH1A1 (0.46) SLC6A4ADRA1AL3MBTL1GLAALDH1A1
Hydrochloric Acid SCHEMBL1474850 0.75 PIM1 (0.46) SLC6A2SLC6A4HTR1AGLASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152236-B1 ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-04-18 EP claimed
EP-0152236-A2 Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarhythmic or hypotensive activity A.H. ROBINS COMPANY, INCORPORATED (US) 1985-08-21 EP claimed
US-4508724-A Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarrhythmic or hypotensive activity A. H. ROBINS COMPANY, INC. (US) 1985-04-02 US claimed
EP-0152236-B1 ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-04-18 EP disclosed
EP-0152236-A2 Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarhythmic or hypotensive activity A.H. ROBINS COMPANY, INCORPORATED (US) 1985-08-21 EP disclosed
US-4508724-A Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarrhythmic or hypotensive activity A. H. ROBINS COMPANY, INC. (US) 1985-04-02 US disclosed