SCHEMBL6966558

SCHEMBL6966558

O=C(CCc1c[nH]c2ccccc12)NCC1CN(Cc2ccccc2)c2ccccc2O1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.70
MAPT P10636 3/20 0.68
HPGD P15428 2/20 0.57
BCHE P06276 5/20 0.54
ACHE P22303 5/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.47

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
SCHEMBL6972839 0.83 HTR1A (1.00) HTR1AMAPTBCHEACHEMEN1
SCHEMBL6967145 0.82 HTR1A (0.56) HTR1AMAPT
SCHEMBL6970489 0.79 MAPT (0.64) HTR1AMAPTHPGDBCHEACHE
SCHEMBL6969241 0.78 MAPT (0.72) HTR1AMAPTHPGDMEN1KMT2A
SCHEMBL7834305 0.76 MAPT (1.00) MAPTHPGDMEN1KMT2ANPSR1
SCHEMBL7837183 0.75 MAPT (0.82) MAPTHPGDMEN1KMT2ANPSR1
SCHEMBL7838803 0.73 LMNA (0.76) MAPTHPGDBCHEACHEMEN1
SCHEMBL7845295 0.73 HPGD (1.00) MAPTHPGDMEN1KMT2ANPSR1
SCHEMBL6973663 0.72 HTR1A (0.69) HTR1A
SCHEMBL7828880 0.72 MAPT (0.70) MAPTHPGDMEN1KMT2A

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 5 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
CN-1335845-A 3,4-dihydro-2H-benzo[1,4] oxazinyl-methyl [3-(1H-indol-3-yl)-alkyl]-amines AMERICAN HOME PROD (US) 2002-02-13 CN 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