SCHEMBL6086384

SCHEMBL6086384

COc1cccc(Cn2c(Sc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MIF P14174 2/20 0.42
DAO P14920 1/20 0.42
CMA1 P23946 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CD74 P04233 1/20 0.41
KMT2A Q03164 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
POLB P06746 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTOR P42345 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6086149 0.91 MTNR1A (0.35) MTNR1AMTNR1BGRIN1GRIN2BKMT2A
SCHEMBL6086605 0.86 HPGD (0.42) HSD17B10KMT2AADORA3HPGDALDH1A1
SCHEMBL6086282 0.86 DAO (0.45) DAOKMT2APOLBADORA3HPGD
SCHEMBL6086546 0.85 TPH1 (0.34) GRIN1GRIN2BDAOHSD17B10KMT2A
SCHEMBL6087289 0.85 MTNR1A (0.48) MTNR1AMTNR1BGRIN1GRIN2BMIF
SCHEMBL7837651 0.84 MTNR1A (0.50) MTNR1AMTNR1BGRIN1GRIN2BMIF
SCHEMBL6087689 0.83 GRIN1 (0.40) GRIN1GRIN2BDAOKMT2APIK3R1
SCHEMBL6086822 0.82 NPC1 (0.37) GRIN1GRIN2BKMT2AADORA3HPGD
SCHEMBL6086447 0.82 MTNR1A (0.49) MTNR1AMTNR1BGRIN1GRIN2BMIF
SCHEMBL6086939 0.81 GRIN1 (0.43) GRIN1GRIN2BPOLBHPGDALDH1A1

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
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed