SCHEMBL6899347

SCHEMBL6899347

CCCN(CCC)CCOc1cc(NC(=O)c2ccc(Oc3cccc(O)c3)cc2)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.60
KDR P35968 4/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR2C P28335 1/20 0.48

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
SCHEMBL6895401 0.92 MCHR1 (0.70) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL10039646 0.88 MCHR1 (0.68) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL6892162 0.88 MCHR1 (0.71) MCHR1SMN1; SMN2HTR2C
SCHEMBL6899341 0.88 MCHR1 (0.78) MCHR1HTR2C
SCHEMBL6897973 0.85 MCHR1 (0.75) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL6896989 0.82 MCHR1 (0.67) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL6898088 0.82 MCHR1 (0.67) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL6921907 0.82 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL12531391 0.82 MCHR1 (0.67) MCHR1NPC1ALDH1A1TP53RAB9A
SCHEMBL10039400 0.82 MCHR1 (0.67) MCHR1NPC1ALDH1A1TP53RAB9A

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 8 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-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed