SCHEMBL7946366

SCHEMBL7946366

Cc1noc(NC(=O)c2cn([C@H]3CC[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC3)c3ncccc3c2=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.37
KCNH2 Q12809 2/20 0.37
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ELANE P08246 1/20 0.33
PDE4B Q07343 4/20 0.33
PDE4D Q08499 4/20 0.33
PDE4C Q08493 3/20 0.33
ENPP2 Q13822 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR6 P50406 1/20 0.32
EDNRA P25101 2/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL7962924 0.87 ALDH1A1 (0.39) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7954869 0.87 ALDH1A1 (0.39) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7953708 0.85 PDE4A (0.38) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7963038 0.85 PDE4A (0.38) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7951678 0.85 CNR1 (0.43) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7951680 0.85 CNR1 (0.43) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7955415 0.85 PDE4A (0.43) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7960402 0.85 PDE4A (0.43) PDE4AKCNH2S1PR1S1PR3PDE4B
SCHEMBL7966410 0.84 PDE4A (0.37) PDE4AKCNH2S1PR1S1PR3ELANE
SCHEMBL7953503 0.84 PDE4A (0.37) PDE4AKCNH2S1PR1S1PR3ELANE

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-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed