SCHEMBL6895413

SCHEMBL6895413

CCCN(CCC)CCCc1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
TRPV1 Q8NER1 12/20 0.46
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.43

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
SCHEMBL6895408 0.89 MCHR1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6898980 0.87 MCHR1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6896357 0.81 ATM (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6898063 0.80 MCHR1 (0.56) HTR1DHTR1BHTR2AMCHR1
SCHEMBL6901301 0.80 MCHR1 (0.58) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6898978 0.77 MCHR1 (0.64) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6895247 0.75 MCHR1 (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6899668 0.74 CA12 (0.52) ALDH1A1SMN1; SMN2HTR1DHTR1BHTR2A
SCHEMBL6896989 0.71 MCHR1 (0.67) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6894734 0.70 MCHR1 (0.48) MEN1KMT2ANPC1RAB9AALDH1A1

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