SCHEMBL3336256

SCHEMBL3336256

c1ccc(Cc2ccc(OCCNN3CCOCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.67
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
HRH1 P35367 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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 SCHEMBL10506417 0.99 LTA4H (0.65) LTA4HL3MBTL1HRH3HRH1NPC1
SCHEMBL29986027 0.82 FOXM1 (0.56) LTA4HNPC1RAB9AALDH1A1KMT2A
SCHEMBL3336258 0.81 DRD1 (0.68) L3MBTL1HRH1
Hydrochloric Acid SCHEMBL10506424 0.80 DRD1 (0.67) L3MBTL1HRH1
SCHEMBL7138464 0.80 LTA4H (1.00) LTA4HHRH3NPC1RAB9A
SCHEMBL7132003 0.76 LTA4H (0.65) LTA4HRAB9A
Hydrochloric Acid SCHEMBL28062266 0.74 POLB (0.51) L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL20251326 0.74 L3MBTL1 (0.81) LTA4HL3MBTL1HRH1
SCHEMBL112951 0.72 HTT (0.51) KDM4EALDH1A1
SCHEMBL9269886 0.71 DRD4 (0.80) LTA4HL3MBTL1KMT2A

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