SCHEMBL6895408

SCHEMBL6895408

COc1ccc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.51
HTR2C P28335 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
HTR2A P28223 1/20 0.45
CASP1 P29466 1/20 0.44

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
SCHEMBL6895413 0.89 MEN1 (0.48) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL6898978 0.87 MCHR1 (0.64) MCHR1HTR2CMEN1KMT2ANPC1
SCHEMBL6896350 0.81 MCHR1 (0.60) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6928002 0.81 MCHR1 (0.71) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6898060 0.80 MCHR1 (0.72) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6901296 0.80 MCHR1 (0.72) MCHR1HTR2CMEN1KMT2ARAB9A
SCHEMBL6898980 0.77 MCHR1 (0.55) MCHR1HTR2CMEN1KMT2ANPC1
SCHEMBL6895242 0.75 MCHR1 (0.73) MCHR1HTR2CMEN1KMT2ANPC1
SCHEMBL6899663 0.75 MCHR1 (0.49) MCHR1HTR2CALDH1A1SMN1; SMN2HTR1D
SCHEMBL6896984 0.71 MCHR1 (0.78) MCHR1HTR2CMEN1KMT2A

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