SCHEMBL6965201

SCHEMBL6965201

CCOC(=O)C1CN(C(=O)C(C)C)c2ccccc2O1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.55
MEN1 O00255 7/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.47
SIRT3 Q9NTG7 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL6973740 0.86 POLB (0.54) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL24377986 0.83 KMT2A (0.55) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL12695925 0.83 SIRT3 (0.58) KMT2AMEN1POLBALDH1A1SIRT3
SCHEMBL29516078 0.83 KMT2A (0.55) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6979726 0.82 KMT2A (0.51) KMT2AMEN1ATMPOLBSIRT3
SCHEMBL925973 0.81 POLB (0.49) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL7820037 0.81 POLB (0.53) KMT2AMEN1POLBALDH1A1SIRT2
SCHEMBL8564037 0.80 P2RX4 (0.49) KMT2AMEN1POLBALDH1A1SIRT1
SCHEMBL8564035 0.80 P2RX4 (0.49) KMT2AMEN1POLBALDH1A1SIRT1
SCHEMBL8564040 0.80 P2RX4 (0.49) KMT2AMEN1POLBALDH1A1SIRT1

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