SCHEMBL6567503

SCHEMBL6567503

COc1ccc(O)cc1OCCNCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.62
DRD4 P21917 3/20 0.59
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
HTR1A P08908 1/20 0.58
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2909008 0.84 HTR1A (0.74) DRD4DRD2DRD3ADRA1DADRA1A
Bromide SCHEMBL9548125 0.83 HTR1A (0.72) DRD4DRD2DRD3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL8159235 0.83 HTR1A (0.72) DRD4DRD2DRD3ADRA1DADRA1A
Ammonia Solution, Strong SCHEMBL2906266 0.83 HTR1A (0.72) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL9270763 0.81 PPARG (0.65) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL31444153 0.79 BCHE (0.63) BCHEADRA1DADRA1AADRA1BHTR1A
SCHEMBL6035592 0.79 BCHE (0.63) BCHEADRA1DADRA1AADRA1BHTR1A
SCHEMBL19532591 0.77 BCHE (1.00) BCHEHTR1AKMT2AMEN1KDM4E
SCHEMBL9273085 0.76 HTR1A (0.64) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL7394364 0.76 HTR1A (0.75) DRD4DRD2DRD3ADRA1DADRA1A

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-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
EP-1187824-B1 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2002-11-13 EP disclosed
US-6417222-B1 DRUGS FOR PSYCHOLOGICAL DISORDERS OR COGNITION ACTIVATORS PIERRE FABRE MEDICAMENT (FR) 2002-07-09 US disclosed
EP-1187824-A2 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2002-03-20 EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP disclosed
WO-2000058282-A2 NOVEL [(2-SUBSTITUTED-5 -[3-THIENYL) -BENZYL]-[2- ([2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2000-10-05 WO disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO disclosed