SCHEMBL7207133

SCHEMBL7207133

CC(C)(C)OC(=O)N(CCOc1cccc2[nH]ccc12)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
MCL1 Q07820 1/20 0.45
HTR1A P08908 7/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
HTR1B P28222 3/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
HTR1D P28221 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL16468447 0.89 DRD4 (0.40) DRD4DRD3DRD2MCL1HTR1A
SCHEMBL16468093 0.86 MEN1 (0.42) DRD4DRD3DRD2MCL1HTR1A
SCHEMBL7342201 0.83 DRD2 (0.51) DRD4DRD3DRD2ADRB2ADRB1
SCHEMBL3853276 0.83 HTR1A (0.48) DRD4DRD3DRD2MCL1HTR1A
SCHEMBL7213221 0.81 MEN1 (0.40) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL3890333 0.79 LMNA (0.53) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL15265594 0.78 DRD2 (0.47) DRD4DRD3DRD2MCL1HTR1A
SCHEMBL7334949 0.76 HDAC3 (0.43) DRD4DRD2HTR1BHDAC1HDAC3
SCHEMBL17763708 0.75 LMNA (0.45) DRD4DRD3DRD2MCL1HTR1A
SCHEMBL8313274 0.75 HDAC1 (0.39) HTR1BHDAC1HDAC3HDAC2NCOR2

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-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP disclosed
EP-0923551-B1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PROD (US) 2002-06-05 EP disclosed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US disclosed
EP-0923551-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
US-5817690-A ANTIDOPAMINE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-06 US disclosed
WO-1998008819-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed