SCHEMBL1663317

SCHEMBL1663317

COc1cc(F)c(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
P2RX7 Q99572 3/20 0.39
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
RBP4 P02753 1/20 0.38
ESR2 Q92731 1/20 0.38
ADORA1 P30542 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
SCN9A Q15858 1/20 0.36
ALK Q9UM73 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
SCHEMBL1663275 0.83 GALR2 (0.43) NR1H2PDE4BGALR2GALR1ESR2
SCHEMBL1584703 0.83 CPS1 (0.46) NR1H2P2RX7KDM4EMAPTGPR119
SCHEMBL1662799 0.82 NR1H2 (0.41) NR1H2PDE4BPDE7AP2RX7RBP4
SCHEMBL4537183 0.81 P2RX7 (0.55) P2RX7MKNK1
SCHEMBL1663380 0.81 PTGDR2 (0.44) FFAR4P2RX7RBP4MAPTGPR119
SCHEMBL1662960 0.81 P2RX7 (0.44) NR1H2PDE4BPDE7AP2RX7ESR2
SCHEMBL22650493 0.81 NR1H2 (0.54) NR1H2PDE4BPDE7AP2RX7ESR2
SCHEMBL29507776 0.81 NR1H2 (0.54) NR1H2PDE4BPDE7AP2RX7ESR2
SCHEMBL1583488 0.79 MEN1 (0.51) NR1H2P2RX7KDM4EMAPTSCN9A
SCHEMBL30734152 0.79 MEN1 (0.51) NR1H2P2RX7KDM4EMAPTSCN9A

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