SCHEMBL5599736

SCHEMBL5599736

CCCCC(c1ccc(OCCC(Cl)N(C)C)c(OCCC(Cl)N(C)C)c1)c1nccn1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CALM1 P0DP23 1/20 0.34
PDE4D Q08499 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
FFAR1 O14842 7/20 0.30
PDE4B Q07343 1/20 0.30
CXCR3 P49682 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 0.78 CHRNB2 (0.35) L3MBTL1CHRNB2CHRNA4PDE4B
SCHEMBL5599046 0.73 TDP1 (0.39) KMT2AMAPTPTGESALOX5PPARG
SCHEMBL5601356 0.72 CHRNB2 (0.39) CHRNB2CHRNA4PDE4DKMT2AMAPT
SCHEMBL5599549 0.68 L3MBTL1 (0.42) L3MBTL1CHRNB2CHRNA4KMT2AMAPT
SCHEMBL5599192 0.67 LMNA (0.36) L3MBTL1CHRNB2CHRNA4KMT2AMAPT
SCHEMBL4060494 0.67 KDM4E (0.44) L3MBTL1CHRNB2CHRNA4KMT2AMAPT
SCHEMBL9254321 0.65 CALM1 (0.47) CALM1
SCHEMBL5615878 0.63 L3MBTL1 (0.38) L3MBTL1KMT2AMAPTKDM4EFFAR1
SCHEMBL19582677 0.63 L3MBTL1 (0.40) L3MBTL1CHRNB2CHRNA4KMT2AMAPT
SCHEMBL9250450 0.63 SMPD1 (0.43) CALM1MAPT

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-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 claimed
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 claimed