SCHEMBL1662960

SCHEMBL1662960

Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.44
NR1H2 P55055 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
GPR119 Q8TDV5 5/20 0.42
ESR2 Q92731 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE7A Q13946 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
SCHEMBL4537183 0.89 P2RX7 (0.55) P2RX7
SCHEMBL29507776 0.88 NR1H2 (0.54) P2RX7NR1H2HRH3GPR119ESR2
SCHEMBL22650493 0.88 NR1H2 (0.54) P2RX7NR1H2HRH3GPR119ESR2
SCHEMBL2366725 0.88 NR1H2 (0.44) P2RX7NR1H2LMNATP53MAPT
SCHEMBL1584703 0.86 CPS1 (0.46) P2RX7NR1H2MAPTHRH3GPR119
SCHEMBL28692485 0.85 ALDH1A1 (0.54) P2RX7LMNAMAPTTHRB
SCHEMBL1583488 0.84 MEN1 (0.51) P2RX7NR1H2TP53MAPTTHRB
SCHEMBL30734152 0.84 MEN1 (0.51) P2RX7NR1H2TP53MAPTTHRB
SCHEMBL3929365 0.83 L3MBTL1 (0.55) LMNATP53MAPTTHRBGPR119
SCHEMBL1662961 0.81 P2RX7 (0.42) P2RX7LMNAMAPTGPR119

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