SCHEMBL5599549

SCHEMBL5599549

CN1CCC(C(c2ccc(OCCC(Cl)N(C)C)cc2)c2nccn2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
ACACB O00763 2/20 0.32
LMNA P02545 1/20 0.32
DRD2 P14416 2/20 0.32

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 0.80 CHRNB2 (0.35) L3MBTL1CHRNB2CHRNA4LMNA
SCHEMBL5600674 0.73 PSMB1 (0.51) ALDH1A1PSMB1PSMB5MEN1KMT2A
SCHEMBL5599192 0.71 LMNA (0.36) L3MBTL1CHRNB2CHRNA4MAPTKMT2A
SCHEMBL5599079 0.71 KMT2A (0.42) L3MBTL1CHRNB2CHRNA4MAPTMEN1
SCHEMBL5599393 0.70 PSMB1 (0.40) ALDH1A1SIGMAR1PSMB1PSMB5MEN1
SCHEMBL5599736 0.68 L3MBTL1 (0.35) L3MBTL1CHRNB2CHRNA4MAPTKMT2A
SCHEMBL12049965 0.64 KDM4E (0.44) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL15568608 0.63 KDM4E (0.51) MAPT
SCHEMBL5599576 0.63 PSMB1 (0.48) MAPTALDH1A1PSMB1PSMB5MEN1
SCHEMBL10556534 0.60 KMT2A (0.58) MAPTALDH1A1SIGMAR1MEN1KMT2A

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 4 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 disclosed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP disclosed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed