SCHEMBL10345698

SCHEMBL10345698

CCOc1ccccc1OCC1(O)CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HCN1 O60741 3/20 0.44
HCN4 Q9Y3Q4 3/20 0.44
SSTR4 P31391 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 2/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
AVPR1A P37288 1/20 0.42
AVPR1B P47901 1/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.39

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
SCHEMBL10345569 0.82 CHRM2 (0.58) ALDH1A1L3MBTL1HSD17B10AVPR1AAVPR1B
SCHEMBL10345634 0.80 SIGMAR1 (0.45) ALDH1A1L3MBTL1HCN1HCN4OPRM1
Hydrochloric Acid SCHEMBL10345568 0.79 SIGMAR1 (0.44) ALDH1A1L3MBTL1HCN1HCN4OPRM1
SCHEMBL10345149 0.77 CHRM2 (0.53) ALDH1A1AVPR1AAVPR1BKMT2ASSTR5
SCHEMBL10345233 0.75 SLC6A2 (0.41) ALDH1A1L3MBTL1HCN1HCN4HPGD
Acetic Acid SCHEMBL10974566 0.73 CHRM2 (0.54) ALDH1A1AVPR1AAVPR1BSSTR5
SCHEMBL10345603 0.73 HSP90AA1 (0.42) SSTR4OPRM1ADRA1AOPRD1KMT2A
SCHEMBL10345611 0.72 ACHE (0.44) ALDH1A1L3MBTL1ADRA1AAVPR1AAVPR1B
Iodide SCHEMBL10345164 0.72 ACHE (0.43) ALDH1A1L3MBTL1ADRA1AAVPR1AAVPR1B
SCHEMBL29346751 0.71 OPRM1 (0.35) OPRM1SLC22A1SLC6A4ADRA1AOPRD1

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
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-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