SCHEMBL3336258

SCHEMBL3336258

c1ccc(Cc2ccccc2OCCNN2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.68
DRD5 P21918 6/20 0.68
DRD4 P21917 5/20 0.68
HRH1 P35367 10/20 0.58
DRD3 P35462 4/20 0.54
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DRD2 P14416 4/20 0.53
LMNA P02545 1/20 0.52
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
Hydrochloric Acid SCHEMBL10506424 0.99 DRD1 (0.67) DRD1DRD5DRD4HRH1DRD3
SCHEMBL3336256 0.81 LTA4H (0.67) HRH1L3MBTL1
Hydrochloric Acid SCHEMBL10506417 0.80 LTA4H (0.65) HRH1L3MBTL1
SCHEMBL11750789 0.75 HRH1 (0.90) DRD1DRD5DRD4HRH1DRD3
SCHEMBL11629837 0.74 HRH1 (1.00) DRD1DRD5DRD4HRH1DRD3
SCHEMBL9271263 0.73 HRH1 (0.69) DRD1DRD5DRD4HRH1DRD3
Hydrochloric Acid SCHEMBL11749025 0.73 HRH1 (0.97) DRD1DRD5DRD4HRH1DRD3
SCHEMBL14578191 0.73 DRD1 (0.83) DRD1DRD5DRD4HRH1DRD3
Hydrochloric Acid SCHEMBL28062266 0.72 POLB (0.51) L3MBTL1LMNAMAPT
SCHEMBL5004402 0.71 HRH1 (0.70) DRD1DRD5DRD4HRH1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153160-B1 NOVEL CYTOTOXIC AMINOALKYL PHENOL ETHERS The University of Manitoba (CA) 1989-05-10 EP claimed
EP-0153160-A1 Novel cytotoxic aminoalkyl phenol ethers The University of Manitoba (CA) 1985-08-28 EP claimed
US-20100144660-A1 USE OF N,N-DIETHYL-2-[-4-(PHENYLMETHYL)-PHENOXY]ETHANAMINE MONOHYDROCHLORIDE (DPPE) IN CANCER THEREAPY YM BIOSCIENCES INC. (CA) 2010-06-10 US disclosed
US-20040248986-A1 Use of n,n-diethyl-2-{-4-(phenylmethyl) - phenoxy} ethanamine monohydrochloride (dppe) in cancer therapy MANITOBA, UNIVERSITY OF (CA) 2004-12-09 US disclosed
EP-1441710-A1 USE OF N,N-DIETHYL-2- -4-(PHENYLMETHYL)-PHENOXY ETHANAMINE MONOHYDROCHLORIDE (DPPE) IN CANCER THERAPY Vincent Research & Consulting, Inc. (CA) 2004-08-04 EP disclosed
WO-2003037318-A1 USE OF N,N-DIETHYL-2-[-4-(PHENYLMETHYL)-PHENOXY]ETHANAMINE MONOHYDROCHLORIDE (DPPE) IN CANCER THERAPY YM BIOSCIENCES, INC. (CA) 2003-05-08 WO disclosed
US-4803227-A N,N-DIALKYL-2-//4-PHENYLMETHYL/PHENOXY/ETHANAMINE AND TAMOXIFE N THE UNIVERSITY OF MANITOBA (CA) 1989-02-07 US disclosed
EP-0153160-A1 Novel cytotoxic aminoalkyl phenol ethers The University of Manitoba (CA) 1985-08-28 EP disclosed