SCHEMBL6963955

SCHEMBL6963955

CCN1CC(CO)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
SIRT1 Q96EB6 6/20 0.43
SIRT2 Q8IXJ6 4/20 0.43
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL7820910 0.88 HTR1A (0.42) HTR1ASIRT1SIRT2THRBTP53
SCHEMBL6971604 0.88 NISCH (0.51) HTR1ASIRT1SIRT2THRBTP53
SCHEMBL6967343 0.83 HTR1A (0.46) HTR1ASIRT1SIRT2
SCHEMBL5107309 0.81 SIRT1 (0.62) HTR1ASIRT1SIRT2NISCH
SCHEMBL1689633 0.80 CASR (0.49) HTR1ASIRT1SIRT2NISCH
SCHEMBL6102026 0.80 CASR (0.49) HTR1ASIRT1SIRT2NISCH
SCHEMBL731248 0.80 CASR (0.49) HTR1ASIRT1SIRT2NISCH
SCHEMBL7918936 0.79 HTR1A (0.47) HTR1ATP53MAPT
SCHEMBL9151791 0.77 HTR1A (0.40) HTR1ASIRT1SIRT2
SCHEMBL28284796 0.77 SIRT1 (0.42) HTR1ASIRT1SIRT2NISCHMTNR1A

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