SCHEMBL2657809

SCHEMBL2657809

CC1(C)OB(c2ccccc2-c2ccccc2C#N)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
ESR2 Q92731 2/20 0.38
TSHR P16473 1/20 0.36
TGFBR1 P36897 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDK2 Q15119 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
BRAF P15056 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL520252 0.86 LPL (0.42) LPLLIPGESR2TSHRPOLB
SCHEMBL29048398 0.85 ESR2 (0.34) LPLLIPGESR2TSHRTGFBR1
SCHEMBL20232183 0.84 LPL (0.48) LPLLIPG
SCHEMBL29507270 0.84 LPL (0.48) LPLLIPG
SCHEMBL12922458 0.80 TSHR (0.38) LPLLIPGESR2TSHRPOLB
SCHEMBL23855810 0.79 LPL (0.35) LPLLIPGESR2TSHR
SCHEMBL17698755 0.79 JAK2 (0.39) LPLLIPGESR2TSHR
SCHEMBL15411720 0.78 LPL (0.42) LPLLIPGTSHRPDK2
SCHEMBL4373050 0.78 LIPG (0.58) LPLLIPGESR2PTPN5
SCHEMBL2660252 0.78 ALOX5AP (0.41) LPLLIPGESR2TSHRGABRG2

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-1294723-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090108-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO disclosed