SCHEMBL6901301

SCHEMBL6901301

CCCN(CCC)CCCc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.58
PGR P06401 2/20 0.49
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL6895247 0.93 MCHR1 (0.57) MCHR1PGRHTR1DHTR1BRAB9A
SCHEMBL6896357 0.90 ATM (0.52) MCHR1HTR1DHTR1BRAB9AMEN1
SCHEMBL6898063 0.89 MCHR1 (0.56) MCHR1HTR1DHTR1BHTR2A
SCHEMBL6901296 0.86 MCHR1 (0.72) MCHR1PGRHTR1DHTR1BRAB9A
SCHEMBL6895401 0.83 MCHR1 (0.70) MCHR1PGRRAB9AMEN1KMT2A
SCHEMBL6899668 0.80 CA12 (0.52) HTR1DHTR1BALDH1A1SMN1; SMN2HTR2A
SCHEMBL6895427 0.80 MAPT (0.52) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10039646 0.80 MCHR1 (0.68) MCHR1RAB9AMEN1KMT2ANPC1
SCHEMBL6895413 0.80 MEN1 (0.48) MCHR1HTR1DHTR1BRAB9AMEN1
SCHEMBL6901304 0.80 AQP1 (0.64) MCHR1ALDH1A1

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