SCHEMBL6615547

SCHEMBL6615547

COc1ccc(NC(=O)c2csc(-c3snnc3C)n2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.49
HTR2C P28335 1/20 0.49
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SLC2A1 P11166 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ACHE P22303 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6603115 0.89 MCHR1 (0.48) MCHR1ALDH1A1MAPTKDM4ENPC1
SCHEMBL6607004 0.85 IRAK4 (0.45) MCHR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6607021 0.85 MCHR1 (0.54) MCHR1HTR2CMAPTKDM4ENPC1
SCHEMBL6603803 0.85 MCHR1 (0.63) MCHR1HTR2CALDH1A1MAPTSLC2A1
SCHEMBL6602778 0.84 MCHR1 (0.49) MCHR1HTR2CALDH1A1MAPTSLC2A1
SCHEMBL6604146 0.82 MCHR1 (0.51) MCHR1HTR2CSLC2A1KDM4EACHE
SCHEMBL6602613 0.79 MCHR1 (0.66) MCHR1HTR2CALDH1A1MAPTKDM4E
SCHEMBL6603055 0.79 MCHR1 (0.58) MCHR1HTR2CMAPTKDM4E
Hydrochloric Acid SCHEMBL6897969 0.78 MCHR1 (0.63) MCHR1HTR2CALDH1A1MAPTSLC2A1
SCHEMBL6604858 0.75 MCHR1 (0.53) MCHR1HTR2CMAPTSLC2A1

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 4 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 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