SCHEMBL6602778

SCHEMBL6602778

COc1ccc(NC(=O)c2csc(-c3sccc3Br)n2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.49
HTR2C P28335 1/20 0.49
ACHE P22303 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM4 Q14833 1/20 0.42
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6602984 0.89 MCHR1 (0.49) MCHR1ACHENPC1RAB9APOLB
SCHEMBL6602784 0.88 MAPT (0.45) MCHR1HTR2CNPC1RAB9APOLB
SCHEMBL6607021 0.85 MCHR1 (0.54) MCHR1HTR2CNPC1RAB9AMAPT
SCHEMBL6603803 0.85 MCHR1 (0.63) MCHR1HTR2CMAPTNPSR1SLC2A1
SCHEMBL6603701 0.85 IRAK4 (0.45) MCHR1NPC1RAB9APOLBMAPT
SCHEMBL6615547 0.84 MCHR1 (0.49) MCHR1HTR2CACHENPC1RAB9A
SCHEMBL6604146 0.83 MCHR1 (0.51) MCHR1HTR2CACHENPC1RAB9A
SCHEMBL6602613 0.80 MCHR1 (0.66) MCHR1HTR2CMAPTKDM4EALDH1A1
SCHEMBL6603055 0.80 MCHR1 (0.58) MCHR1HTR2CMAPTNPSR1KDM4E
Hydrochloric Acid SCHEMBL6897969 0.78 MCHR1 (0.63) MCHR1HTR2CNPC1RAB9AMAPT

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