SCHEMBL7342201

SCHEMBL7342201

CC(C)(C)OC(=O)N(CCOc1cccc2[nH]c(=O)[nH]c12)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
ADRB2 P07550 4/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
NCOR2 Q9Y618 3/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CASR P41180 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL7335101 0.84 DRD2 (0.55) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL7207133 0.83 DRD4 (0.48) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL7336204 0.79 DRD2 (0.54) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL3890333 0.79 LMNA (0.53) MEN1KMT2ALMNAHDAC1HDAC3
SCHEMBL7213221 0.78 MEN1 (0.40) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL7334805 0.78 DRD2 (0.44) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL7335668 0.77 DRD2 (0.45) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL8313274 0.77 HDAC1 (0.39) LMNAHDAC1HDAC3HDAC2NCOR2
SCHEMBL7335257 0.76 DRD2 (0.45) DRD2DRD4DRD3L3MBTL1
SCHEMBL7334104 0.75 DRD2 (0.45) DRD2DRD4DRD3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103744-A ADMINISTERING TO THE PATIENT A DOPAMINE AUTORECEPTOR AGONISTS FOR THE TREATMENT OF SCHIZOPHRENIA, PARKINSON,S DISEASE, TOURETTE,S SYNDROM, ALCOHOLISM AND DRUG ADDICTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 US disclosed
EP-0964853-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP disclosed
US-5990144-A TREATING PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND ALCOHOL AND DRUG ADDICTION; DOPAMINERGIC PROPERTIES; SIDE-EFFECT REDUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US disclosed
WO-1998035946-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed