SCHEMBL6603515

SCHEMBL6603515

COc1ccc(NC(=O)c2sc(-c3cnccn3)nc2C)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.49
HTR2C P28335 1/20 0.48
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.41
SLC2A1 P11166 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
SCHEMBL7728765 0.89 KDM4E (0.57) MCHR1HTR2CMAPTKDM4EALDH1A1
SCHEMBL6603526 0.89 MAPT (0.44) MCHR1HTR2CMAPTKDM4EALDH1A1
SCHEMBL6604858 0.88 MCHR1 (0.53) MCHR1HTR2CMAPTPOLBSLC2A1
SCHEMBL6602805 0.85 MCHR1 (0.62) MCHR1HTR2CPOLBMEN1KMT2A
SCHEMBL6602551 0.84 MCHR1 (0.54) MCHR1HTR2CMAPTMEN1KMT2A
SCHEMBL6605510 0.82 MCHR1 (0.67) MCHR1HTR2CMAPTALDH1A1MEN1
SCHEMBL6603148 0.80 MCHR1 (0.65) MCHR1HTR2CMAPTALDH1A1MEN1
SCHEMBL6606152 0.78 MCHR1 (0.65) MCHR1HTR2CALDH1A1
SCHEMBL6609501 0.77 MEN1 (0.56) MCHR1MAPTMEN1KMT2AUSP2
SCHEMBL7723576 0.77 MAPT (0.53) MCHR1MAPTKDM4EALDH1A1POLB

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