SCHEMBL6898063

SCHEMBL6898063

CCCN(CCC)CCCc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.56
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL6896357 0.90 ATM (0.52) MCHR1HTR1DHTR1BHTR2A
SCHEMBL6901301 0.89 MCHR1 (0.58) MCHR1HTR1DHTR1BHTR2A
SCHEMBL6898060 0.86 MCHR1 (0.72) MCHR1HTR1DHTR1B
SCHEMBL6899096 0.83 MCHR1 (0.70) MCHR1
SCHEMBL6895247 0.83 MCHR1 (0.57) MCHR1HTR1DHTR1B
SCHEMBL6899668 0.80 CA12 (0.52) HTR1DHTR1BHTR2A
SCHEMBL6895413 0.80 MEN1 (0.48) MCHR1HTR1DHTR1BHTR2A
SCHEMBL6896350 0.77 MCHR1 (0.60) MCHR1HTR1DHTR1B
SCHEMBL6928002 0.77 MCHR1 (0.71) MCHR1HTR1DHTR1B
SCHEMBL7606995 0.76 ACHE (0.40) BCHEACHE

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-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP claimed
JP-2002521436-A 2002-07-16 JP claimed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP claimed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO claimed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed