SCHEMBL6967343

SCHEMBL6967343

CC(C)CN1CC(CO)Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
SIRT1 Q96EB6 11/20 0.40
SIRT2 Q8IXJ6 7/20 0.40
CASR P41180 3/20 0.40
MCL1 Q07820 2/20 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
SCHEMBL6963955 0.83 HTR1A (0.43) HTR1ASIRT1SIRT2
SCHEMBL6971604 0.81 NISCH (0.51) HTR1ASIRT1SIRT2
SCHEMBL6966877 0.79 HTR1A (0.47) HTR1ASIRT1SIRT2CASR
SCHEMBL5107309 0.78 SIRT1 (0.62) HTR1ASIRT1SIRT2
SCHEMBL6102026 0.76 CASR (0.49) HTR1ASIRT1SIRT2CASR
SCHEMBL1689633 0.76 CASR (0.49) HTR1ASIRT1SIRT2CASR
SCHEMBL731248 0.76 CASR (0.49) HTR1ASIRT1SIRT2CASR
SCHEMBL6971601 0.73 HTR1A (0.39) HTR1ASIRT1SIRT2CASRMCL1
SCHEMBL6971596 0.73 LMNA (0.42) HTR1ASIRT1SIRT2
SCHEMBL9151791 0.73 HTR1A (0.40) HTR1ASIRT1SIRT2

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