SCHEMBL7845796

SCHEMBL7845796

Cc1cc(C)cc(C(=O)c2[nH]c(=O)n(Cc3ccccc3C#N)c(=O)c2C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 13/20 0.48
GRIN2B Q13224 13/20 0.48
NOX4 Q9NPH5 1/20 0.40
DPP4 P27487 2/20 0.38
TSHR P16473 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL7847796 0.85 GRIN1 (0.49) GRIN1GRIN2BNOX4DPP4TSHR
SCHEMBL6086789 0.85 GRIN1 (0.48) GRIN1GRIN2BNOX4DPP4TSHR
SCHEMBL7846575 0.84 HPD (0.41)
SCHEMBL7850053 0.80 GRIN1 (0.49) GRIN1GRIN2BNOX4DPP4
SCHEMBL7845897 0.78 DDR1 (0.34) GRIN1GRIN2B
SCHEMBL7848694 0.78 LMNA (0.41)
SCHEMBL7836190 0.78 MAPT (0.36)
SCHEMBL7837543 0.77 GRIN1 (0.43) GRIN1GRIN2BNOX4
SCHEMBL6086089 0.77 GRIN1 (0.50) GRIN1GRIN2BNOX4DPP4
SCHEMBL7847828 0.76 MEN1 (0.33) 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