SCHEMBL6606130

SCHEMBL6606130

COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1OCCN(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.62
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 3/20 0.56
MAPT P10636 3/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR2A P28223 2/20 0.56
KDM4E B2RXH2 2/20 0.56
TP53 P04637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL6605967 0.90 MCHR1 (0.63) MCHR1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL6604490 0.89 MCHR1 (0.64) MCHR1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL6604498 0.89 MCHR1 (0.55) MCHR1KCNQ3KCNQ2MEN1KMT2A
SCHEMBL2304880 0.87 KCNQ3 (0.68) KCNQ3KCNQ2MEN1KMT2AALDH1A1
SCHEMBL6920493 0.84 MCHR1 (0.76) MCHR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL6928640 0.81 MCHR1 (0.92) MCHR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL6922320 0.81 MCHR1 (0.77) MCHR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL6926179 0.81 MCHR1 (0.77) MCHR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL6922221 0.81 MCHR1 (0.77) MCHR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL6606694 0.80 MCHR1 (0.58) MCHR1MEN1KMT2AALDH1A1MAPK1

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