SCHEMBL6901296

SCHEMBL6901296

COc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1CCCN(C(C)C)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.72
HTR2C P28335 1/20 0.58
PGR P06401 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 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
SCHEMBL6895242 0.93 MCHR1 (0.73) MCHR1HTR2CPGRHTR1DHTR1B
SCHEMBL6896350 0.90 MCHR1 (0.60) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6928002 0.90 MCHR1 (0.71) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6898060 0.89 MCHR1 (0.72) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6901301 0.86 MCHR1 (0.58) MCHR1PGRHTR1DHTR1BMEN1
SCHEMBL6895261 0.83 MCHR1 (0.93) MCHR1HTR2C
Iodomethane SCHEMBL6899429 0.82 MCHR1 (0.89) MCHR1HTR2C
SCHEMBL6899663 0.81 MCHR1 (0.49) MCHR1HTR2CHTR1DHTR1B
SCHEMBL6895425 0.80 MCHR1 (0.48) MCHR1MEN1RAB9AKMT2A
SCHEMBL6895408 0.80 MCHR1 (0.51) MCHR1HTR2CHTR1DHTR1BMEN1

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