SCHEMBL6967903

SCHEMBL6967903

CC(C)(C)OC(=O)c1cccc2[nH]cc(CCC(=O)NCC3CNc4ccccc4O3)c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HTR1A P08908 4/20 0.46
HPGD P15428 3/20 0.42
CASR P41180 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6969241 0.80 MAPT (0.72) MAPTHTR1AHPGDPOLBMEN1
SCHEMBL6970489 0.70 MAPT (0.64) MAPTHTR1AHPGDPOLBMEN1
SCHEMBL9701396 0.63 CASR (0.56) HTR1AHPGDCASRPOLBMTNR1A
SCHEMBL9077031 0.63 KMT2A (0.52) MAPTHTR1APOLBMEN1KMT2A
SCHEMBL1759590 0.62 NR4A2 (0.47) MAPTMEN1KMT2A
SCHEMBL3918274 0.62 NR4A2 (0.56) MAPTMEN1KMT2A
SCHEMBL27909433 0.62 NR4A2 (0.46) MAPTPOLBMEN1KMT2ARECQL
SCHEMBL8562534 0.61 HPGD (0.65) HPGDPOLBKMT2AMTNR1AMTNR1B
SCHEMBL8562529 0.61 HPGD (0.65) HPGDPOLBKMT2AMTNR1AMTNR1B
SCHEMBL8564576 0.61 HPGD (0.65) HPGDPOLBKMT2AMTNR1AMTNR1B

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