SCHEMBL6899776

SCHEMBL6899776

CCCN(CCC)CCOc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
MAOB P27338 2/20 0.58
KDM1A O60341 1/20 0.58
NR1H4 Q96RI1 7/20 0.57
MCHR1 Q99705 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HPSE Q9Y251 1/20 0.52
TP53 P04637 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NLRP3 Q96P20 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL6898946 0.86 MEN1 (0.61) THRBNR1H4MCHR1MAPK1MAPT
SCHEMBL6899772 0.85 MCHR1 (0.73) THRBMAOBKDM1ANR1H4MCHR1
SCHEMBL6895401 0.85 MCHR1 (0.70) MCHR1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6900342 0.83 CACNA1H (0.62) MCHR1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL6807188 0.82 MCHR1 (0.71) MCHR1MAPTKMT2AMEN1RAB9A
SCHEMBL10039646 0.81 MCHR1 (0.68) MCHR1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6925001 0.80 TP53 (0.60) THRBMAOBKDM1AMCHR1MAPK1
SCHEMBL6902203 0.79 MCHR1 (0.58) MCHR1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6892162 0.79 MCHR1 (0.71) NR1H4MCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6899347 0.79 MCHR1 (0.60) MCHR1SMN1; SMN2TP53NPC1RAB9A

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