SCHEMBL6894734

SCHEMBL6894734

COc1ccc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cc1OCCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
KDR P35968 4/20 0.44
EGFR P00533 2/20 0.44
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPSE Q9Y251 1/20 0.41
CASP1 P29466 1/20 0.41
NAMPT P43490 1/20 0.41
ASF1A Q9Y294 1/20 0.40

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
SCHEMBL6899670 0.83 MCHR1 (0.58) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6925626 0.83 MCHR1 (0.68) MCHR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30227430 0.83 MCHR1 (0.68) MCHR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6895305 0.82 MCHR1 (0.57) MCHR1NPC1RAB9AALDH1A1CASP3
SCHEMBL6894847 0.82 MCHR1 (0.69) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL6898980 0.80 MCHR1 (0.55) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL6898978 0.80 MCHR1 (0.64) MCHR1MEN1KMT2ANPC1RAB9A
SCHEMBL6918805 0.77 MCHR1 (0.48) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6893836 0.77 MCHR1 (0.59) MCHR1MEN1KMT2ARAB9ACASP3
SCHEMBL6898988 0.77 MCHR1 (0.49) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2

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