SCHEMBL6602984

SCHEMBL6602984

CCN(CC)CCOc1cc(NC(=O)c2csc(-c3sccc3Br)n2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GRM4 Q14833 1/20 0.43
KDR P35968 7/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL6602784 0.94 MAPT (0.45) MCHR1NPC1RAB9AMAPTNPSR1
SCHEMBL6602778 0.89 MCHR1 (0.49) MCHR1NPC1RAB9AMAPTNPSR1
SCHEMBL6603016 0.85 MCHR1 (0.62) MCHR1NPC1RAB9AMAPTNPSR1
SCHEMBL6605795 0.85 MCHR1 (0.53) MCHR1NPC1RAB9AMAPTKDR
SCHEMBL6603115 0.84 MCHR1 (0.48) MCHR1NPC1RAB9AMAPTKDR
SCHEMBL6603151 0.82 MCHR1 (0.50) MCHR1NPC1RAB9AMAPTGRM4
SCHEMBL6602624 0.80 NPSR1 (0.54) MCHR1MAPTNPSR1KDRKDM4E
SCHEMBL6606577 0.80 ALDH1A1 (0.53) MCHR1MAPTPOLBKDRKDM4E
SCHEMBL6607034 0.79 MAPT (0.50) MCHR1NPC1RAB9AMAPTPOLB
SCHEMBL6603809 0.79 MCHR1 (0.54) MCHR1NPC1RAB9AMAPTNPSR1

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