SCHEMBL10345149

SCHEMBL10345149

CCOc1ccccc1OCC1(O)CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SSTR5 P35346 2/20 0.46
OPRL1 P41146 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 2/20 0.42
AVPR1A P37288 1/20 0.42
AVPR1B P47901 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
Acetic Acid SCHEMBL10974566 0.95 CHRM2 (0.54) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL10345569 0.92 CHRM2 (0.58) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL9174263 0.84 OPRL1 (0.51) ALDH1A1KDM4EOPRL1POLBCYP2D6
SCHEMBL10345173 0.83 PIM1 (0.52) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL10345158 0.83 CYP3A4 (0.50) ALDH1A1KDM4EOPRL1POLBCYP2D6
SCHEMBL10345304 0.81 DRD2 (0.50) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL10345276 0.81 DRD4 (0.50) CHRM2CHRM3DRD2DRD4DRD3
SCHEMBL25600026 0.80 OPRL1 (0.55) ALDH1A1KDM4EOPRL1POLBCYP2D6
Oxalic Acid SCHEMBL10979061 0.79 KDM4E (0.53) CHRM2CHRM3DRD2DRD4DRD3
Oxalic Acid SCHEMBL10345209 0.79 KDM4E (0.53) CHRM2CHRM3DRD2DRD4DRD3

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