SCHEMBL7213221

SCHEMBL7213221

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2A P28223 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7476943 0.84 PDK2 (0.40) MEN1KMT2AHTR2AKDM4EMAPT
SCHEMBL7207133 0.81 DRD4 (0.48) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL7342201 0.78 DRD2 (0.51) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL3890333 0.77 LMNA (0.53) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL7207490 0.76 HTR2A (0.39) HTR2A
SCHEMBL23819936 0.73 HTR2A (0.59) KMT2AHTR2AMAPTMAPK1
SCHEMBL7334949 0.73 HDAC3 (0.43) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL8313274 0.73 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2KDM4E
SCHEMBL13617413 0.73 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL5153408 0.73 HDAC3 (0.46) MEN1KMT2AHDAC1HDAC3HDAC2

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 6 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
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