SCHEMBL6899005

SCHEMBL6899005

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(C(=NO)c3ccccc3)cc2)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.63
HTR2C P28335 1/20 0.55
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6898088 0.90 MCHR1 (0.67) MCHR1HTR2CNPC1ALDH1A1TP53
SCHEMBL6896989 0.88 MCHR1 (0.67) MCHR1HTR2CNPC1ALDH1A1TP53
SCHEMBL6921907 0.88 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL6898997 0.87 MCHR1 (0.73) MCHR1HTR2C
SCHEMBL6898994 0.87 MCHR1 (0.73) MCHR1HTR2C
SCHEMBL6895401 0.87 MCHR1 (0.70) MCHR1HTR2CNPC1ALDH1A1TP53
SCHEMBL6899096 0.87 MCHR1 (0.70) MCHR1HTR2C
SCHEMBL6894749 0.86 MCHR1 (0.64) MCHR1HTR2CNPC1ALDH1A1TP53
SCHEMBL6895300 0.86 MCHR1 (0.64) MCHR1HTR2CNPC1ALDH1A1TP53
SCHEMBL6898477 0.85 MCHR1 (0.63) MCHR1HTR2C

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