SCHEMBL13152115

SCHEMBL13152115

CCOC(=O)NC(=O)Nc1cccc(-c2c(N)c3cc(OC)ccc3n2CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 2/20 0.46
MTNR1B P49286 2/20 0.44
MTNR1A P48039 1/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 3/20 0.44
GRIK1 P39086 1/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
HCRTR1 O43613 2/20 0.42
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL13152063 0.93 MTNR1B (0.51) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL10095684 0.87 GRIK2 (0.46) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL13152139 0.86 MTNR1B (0.48) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL13152066 0.85 GRIK2 (0.45) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL13152069 0.85 ITGB3 (0.47) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL13152572 0.85 MTNR1B (0.49) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL13152067 0.84 GRIK2 (0.42) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL13152096 0.84 KMT2A (0.46) GRIK2MTNR1BMTNR1AKMT2ANPC1
SCHEMBL10249317 0.83 GSK3A (0.49) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL10097283 0.83 TSHR (0.47) GRIK2KMT2ANPC1MEN1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed