SCHEMBL6602805

SCHEMBL6602805

COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.62
HTR2C P28335 1/20 0.62
SLC2A1 P11166 1/20 0.53
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
MET P08581 2/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL6604858 0.92 MCHR1 (0.53) MCHR1HTR2CSLC2A1POLB
SCHEMBL6602551 0.92 MCHR1 (0.54) MCHR1HTR2CSLC2A1MEN1KMT2A
SCHEMBL6605510 0.89 MCHR1 (0.67) MCHR1HTR2CMEN1KMT2A
SCHEMBL7728765 0.89 KDM4E (0.57) MCHR1HTR2CSLC2A1POLB
SCHEMBL6603148 0.89 MCHR1 (0.65) MCHR1HTR2CMEN1KMT2A
SCHEMBL6603893 0.89 MCHR1 (0.61) MCHR1HTR2CMEN1POLBKMT2A
SCHEMBL6602810 0.88 MCHR1 (0.54) MCHR1HTR2CMEN1POLBKMT2A
SCHEMBL6603515 0.85 MCHR1 (0.49) MCHR1HTR2CSLC2A1MEN1POLB
SCHEMBL6606883 0.85 PARP1 (0.51) MCHR1HTR2CMEN1POLBKMT2A
SCHEMBL6603803 0.83 MCHR1 (0.63) MCHR1HTR2CSLC2A1MEN1KMT2A

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