SCHEMBL7845869

SCHEMBL7845869

CCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)n(Cc2ccccc2C#N)c1=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 0.50
GRIN2B Q13224 11/20 0.50
DPP4 P27487 6/20 0.41
NOX4 Q9NPH5 1/20 0.39

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
SCHEMBL6086254 0.84 GRIN1 (0.50) GRIN1GRIN2BDPP4
SCHEMBL8183668 0.83 ALDH1A1 (0.42)
SCHEMBL7836833 0.82 GRIN1 (0.41) GRIN1GRIN2BDPP4
SCHEMBL7848747 0.80 GRIN1 (0.50) GRIN1GRIN2BDPP4NOX4
SCHEMBL7847796 0.79 GRIN1 (0.49) GRIN1GRIN2BDPP4NOX4
SCHEMBL7846972 0.78 CYP1A2 (0.34)
SCHEMBL7845277 0.78 GRIN1 (0.45) GRIN1GRIN2BNOX4
SCHEMBL9009383 0.76 NOX4 (0.37) GRIN1NOX4
SCHEMBL6087882 0.75 GRIN1 (0.49) GRIN1GRIN2BDPP4NOX4
SCHEMBL7848121 0.75 HSD17B10 (0.49) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed