SCHEMBL6898978

SCHEMBL6898978

COc1ccc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.64
HTR2C P28335 1/20 0.64
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP7 Q9BQF6 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
SCHEMBL6898980 0.88 MCHR1 (0.55) MCHR1HTR2CMEN1KMT2ANPC1
SCHEMBL6895408 0.87 MCHR1 (0.51) MCHR1HTR2CMEN1KMT2ANPC1
SCHEMBL6896984 0.86 MCHR1 (0.78) MCHR1HTR2CMEN1KMT2A
SCHEMBL6925443 0.83 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL6898082 0.82 MCHR1 (0.78) MCHR1HTR2C
SCHEMBL6926340 0.82 MCHR1 (0.92) MCHR1HTR2C
SCHEMBL6897703 0.81 MCHR1 (0.71) MCHR1HTR2CMEN1KMT2AALDH1A1
SCHEMBL6925652 0.81 MCHR1 (0.71) MCHR1HTR2CNPC1ALDH1A1CASP3
SCHEMBL6926161 0.81 MCHR1 (0.76) MCHR1HTR2CNPC1ALDH1A1RAB9A
SCHEMBL6895261 0.80 MCHR1 (0.93) 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