SCHEMBL6603151

SCHEMBL6603151

CCN(CC)CCOc1cc(NC(=O)c2csc(-c3cccc(Cl)c3Cl)n2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
KDR P35968 5/20 0.47
TLR7 Q9NYK1 2/20 0.47
PANK3 Q9H999 1/20 0.47
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GRM4 Q14833 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL6604151 0.94 TLR7 (0.46) MCHR1KDRTLR7PANK3RAB9A
SCHEMBL6604146 0.89 MCHR1 (0.51) MCHR1TLR7PANK3RAB9ASMN1; SMN2
SCHEMBL6603016 0.86 MCHR1 (0.62) MCHR1KDRTLR7RAB9ASMN1; SMN2
SCHEMBL6605795 0.84 MCHR1 (0.53) MCHR1KDRTLR7RAB9ASMN1; SMN2
SCHEMBL6602624 0.84 NPSR1 (0.54) MCHR1KDRKDM4EHRH3MAPT
SCHEMBL6602984 0.82 MCHR1 (0.49) MCHR1KDRTLR7RAB9ASMN1; SMN2
SCHEMBL6606577 0.82 ALDH1A1 (0.53) MCHR1KDRTLR7KDM4EMAPT
SCHEMBL6603115 0.82 MCHR1 (0.48) MCHR1KDRTLR7RAB9ASMN1; SMN2
SCHEMBL6604722 0.80 TLR7 (0.49) TLR7PANK3SMN1; SMN2KDM4EMAPT
SCHEMBL6603809 0.80 MCHR1 (0.54) MCHR1TLR7RAB9ASMN1; SMN2KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed