SCHEMBL6970489

SCHEMBL6970489

CC(C)(C)OC(=O)N1CC(CNC(=O)CCc2c[nH]c3ccccc23)Oc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
HPGD P15428 2/20 0.54
HTR1A P08908 6/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL6966558 0.79 HTR1A (0.70) MAPTHPGDHTR1AMEN1KMT2A
SCHEMBL6969718 0.78 HTR1A (0.63) HTR1A
SCHEMBL6969241 0.75 MAPT (0.72) MAPTHPGDHTR1AMEN1KMT2A
SCHEMBL7834305 0.73 MAPT (1.00) MAPTHPGDMEN1KMT2ANPSR1
SCHEMBL6975852 0.72 RORC (0.45) MAPTMEN1KMT2A
SCHEMBL7918924 0.72 HTR1A (0.59) HTR1AHTTLMNAPOLB
SCHEMBL7837183 0.72 MAPT (0.82) MAPTHPGDMEN1KMT2ANPSR1
SCHEMBL22039141 0.72 MAPT (0.61) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL30561257 0.72 MAPT (0.61) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL7845295 0.70 HPGD (1.00) MAPTHPGDMEN1KMT2ANPSR1

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
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed