SCHEMBL5599192

SCHEMBL5599192

CN(C)C(Cl)COc1ccc(C(c2nccn2C)C2CCCCC2)cc1OCC(Cl)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4B Q07343 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL5599937 0.90 CHRNB2 (0.35) LMNAHTTSMN1; SMN2PDE4BL3MBTL1
SCHEMBL5599549 0.71 L3MBTL1 (0.42) LMNAL3MBTL1KMT2AMAPTCHRNB2
SCHEMBL25706790 0.66 KDM4E (0.45) LMNAL3MBTL1MAPT
SCHEMBL25706789 0.66 MBTD1 (0.43) KMT2AMAPT
SCHEMBL25706788 0.66 MBTD1 (0.43) KMT2AMAPT
SCHEMBL25706791 0.66 KDM4E (0.45) LMNAL3MBTL1MAPT
SCHEMBL5611109 0.64 UTS2R (0.34) L3MBTL1
SCHEMBL5616045 0.62 KDM4E (0.35) LMNAL3MBTL1MAPT
SCHEMBL15568608 0.60 KDM4E (0.51) MAPT
SCHEMBL27735033 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed