SCHEMBL6975852

SCHEMBL6975852

CC(C)(C)OC(=O)N1CC(CO)Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.45
TP53 P04637 3/20 0.44
THRB P10828 3/20 0.44
MAPT P10636 4/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL31561707 0.88 TP53 (0.41) RORCTP53THRBMAPTSIRT2
SCHEMBL22396991 0.84 RORC (0.52) RORCTP53THRBMAPT
SCHEMBL22397004 0.84 RORC (0.52) RORCTP53THRBMAPT
SCHEMBL22396988 0.84 RORC (0.52) RORCTP53THRBMAPT
SCHEMBL6977474 0.83 MAPT (0.44) RORCTP53THRBMAPT
SCHEMBL3205346 0.82 UCHL1 (0.44) RORCKDM1A
SCHEMBL30479646 0.82 UCHL1 (0.44) RORCKDM1A
SCHEMBL31561755 0.82 RORC (0.47) RORCTP53THRBMAPTMEN1
SCHEMBL7920801 0.81 KDM4E (0.42) RORCTP53MAPTKDM1AMEN1
SCHEMBL924383 0.81 SIRT1 (0.47) RORCSIRT2SIRT1KDM1AMEN1

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 9 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
US-6221863-B1 TREATING DEPRESSION IN A PATIENT AMERICAN HOME PRODUCTS CORP. 2001-04-24 US disclosed
EP-1070063-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6162803-A Indol-3-yl-cyclohexyl amine derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORP. (US) 2000-12-19 US disclosed
WO-2000040581-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO 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
WO-1999051592-A1 INDOL-3-YL-CYCLOHEXYL AMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION (5-HT1 RECEPTOR ANTAGONISTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed