SCHEMBL6902203

SCHEMBL6902203

CCCN(CCC)CCOc1ccc(NC(=O)c2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.58
CYP1A2 P05177 1/20 0.56
LTA4H P09960 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 4/20 0.55
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
MCL1 Q07820 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
CHRNB2 P17787 2/20 0.53
CHRNB4 P30926 2/20 0.53

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
SCHEMBL6808491 0.92 MCHR1 (0.69) MCHR1CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL6801515 0.84 MCHR1 (0.80) MCHR1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6899096 0.83 MCHR1 (0.70) MCHR1
SCHEMBL6898486 0.82 GAA (0.58) MCHR1CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL6807188 0.81 MCHR1 (0.71) MCHR1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6898946 0.81 MEN1 (0.61) MCHR1MAPTALDH1A1NPC1CHRNB2
SCHEMBL15537028 0.80 NR1H4 (0.65) MCHR1MAPTRAB9AKDM4EALDH1A1
SCHEMBL6899776 0.79 THRB (0.61) MCHR1MAPTRAB9AALDH1A1NPC1
SCHEMBL4257510 0.78 NR1H4 (0.76) MAPTRAB9AKDM4EALDH1A1TSHR
SCHEMBL28019762 0.78 MAPT (0.74) MAPTRAB9AKDM4EALDH1A1TSHR

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 8 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-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed