SCHEMBL8134709

SCHEMBL8134709

O=C1Nc2ccccc2Oc2c(Cl)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.48
AHR P35869 2/20 0.47
CHEK1 O14757 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ALOX5 P09917 1/20 0.44
CES1 P23141 2/20 0.44

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
SCHEMBL30595249 0.82 LMNA (0.52) MAPTTP53LMNAAHRCHEK1
SCHEMBL9853247 0.81 CDC7 (0.41) MAPTTP53LMNAAHRCHEK1
SCHEMBL8136244 0.81 MEN1 (0.54) MAPTTP53LMNACHEK1MEN1
SCHEMBL5357237 0.81 MAPT (0.45) MAPTTP53LMNACHEK1MEN1
Hydrochloric Acid SCHEMBL5362202 0.80 MAPT (0.44) MAPTTP53LMNACHEK1MEN1
SCHEMBL11537969 0.80 ALOX5 (0.59) MAPTTP53AHRMEN1KMT2A
SCHEMBL380110 0.78 ALOX5 (0.61) MAPTTP53LMNAMEN1KMT2A
SCHEMBL8204026 0.78 TRPA1 (0.43) MAPTTP53LMNACHEK1MEN1
SCHEMBL8264901 0.77 MAPT (0.47) MAPTTP53LMNACHEK1MEN1
SCHEMBL5361826 0.77 POLB (0.56) MAPTTP53LMNACHEK1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797577-B1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMA (CA) 2000-07-26 EP disclosed
EP-0797577-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY Allelix Biopharmaceuticals Inc. (CA) 1997-10-01 EP disclosed
US-5538965-A TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-07-23 US disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO disclosed
WO-1996018621-A1 ALKYL-SUBSTITUTED COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed
US-5461046-A Analgesics G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 US disclosed