SCHEMBL6969241

SCHEMBL6969241

O=C(CCc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
HTR1A P08908 2/20 0.70
HPGD P15428 2/20 0.63
POLB P06746 3/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL6967903 0.80 MAPT (0.48) MAPTHTR1AHPGDPOLBHTT
SCHEMBL7834305 0.78 MAPT (1.00) MAPTHPGDRECQLKMT2AMEN1
SCHEMBL6966558 0.78 HTR1A (0.70) MAPTHTR1AHPGDHTTRECQL
SCHEMBL7845295 0.77 HPGD (1.00) MAPTHPGDPOLBHTTRECQL
SCHEMBL7837183 0.77 MAPT (0.82) MAPTHPGDPOLBHTTRECQL
SCHEMBL6970489 0.75 MAPT (0.64) MAPTHTR1AHPGDPOLBHTT
SCHEMBL7675954 0.74 HPGD (0.69) MAPTHTR1AHPGDPOLBHTT
SCHEMBL7853054 0.74 HPGD (0.62) MAPTHPGDPOLBHTTRECQL
SCHEMBL7847712 0.73 HPGD (0.65) MAPTHPGDPOLBHTTRECQL
SCHEMBL25338024 0.73 MAPT (0.81) MAPTHPGDHTTKMT2AMEN1

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