SCHEMBL1663068

SCHEMBL1663068

CC(C)(C)OC(=O)N1CCN(c2ncccc2F)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.51
GRM1 Q13255 2/20 0.51
POLB P06746 1/20 0.48
DTYMK P23919 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
MAPK1 P28482 1/20 0.42
NR1H2 P55055 2/20 0.41
P2RX3 P56373 1/20 0.41
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL30734152 0.83 MEN1 (0.51) GRM5GRM1MAPK1NR1H2SCN9A
SCHEMBL1583488 0.83 MEN1 (0.51) GRM5GRM1MAPK1NR1H2SCN9A
SCHEMBL11356927 0.82 HRH3 (0.56) GRM5GRM1POLBHRH3GPR119
SCHEMBL868914 0.82 GPR119 (0.54) GRM5POLBDTYMKGPR119MAPK1
SCHEMBL1666309 0.81 HRH3 (0.45) POLBHRH3GPR119SCN9A
SCHEMBL1583147 0.80 GPR119 (0.58) GRM5GRM1POLBDTYMKGPR119
SCHEMBL2889747 0.77 SCN9A (0.49) GRM5GRM1GPR119MAPK1P2RX3
SCHEMBL28597591 0.77 GPR119 (0.58) GRM5GRM1POLBDTYMKGPR119
SCHEMBL4537183 0.77 P2RX7 (0.55)
SCHEMBL1662960 0.76 P2RX7 (0.44) HRH3GPR119NR1H2MAPT

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed