SCHEMBL1663380

SCHEMBL1663380

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
FFAR4 Q5NUL3 1/20 0.37
RBP4 P02753 1/20 0.37
P2RX7 Q99572 6/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL1663277 0.85 PTGDR2 (0.49) PTGDR2CYP2C19LMNAHPGDTSHR
SCHEMBL1662724 0.84 CPS1 (0.44) PTGDR2P2RX7SCN9ASCN10AMAPT
SCHEMBL1662800 0.83 PTGDR2 (0.44) PTGDR2RBP4P2RX7SCN9ASCN10A
SCHEMBL1662961 0.82 P2RX7 (0.42) PTGDR2P2RX7SCN9ASCN10AMAPT
SCHEMBL1663317 0.81 NR1H2 (0.40) FFAR4RBP4P2RX7SCN9AMAPT
SCHEMBL1583489 0.80 SCN9A (0.51) PTGDR2P2RX7SCN9ASCN10AMAPT
SCHEMBL1583807 0.78 HRH3 (0.42) PTGDR2P2RX7MEN1CYP2C9KMT2A
SCHEMBL1583729 0.75 PTGDR2 (0.39) PTGDR2P2RX7SCN9ASCN10AMAPT
SCHEMBL3654102 0.75 P2RX7 (0.51) P2RX7MEN1KMT2AALDH1A1
SCHEMBL1583535 0.75 HRH3 (0.49) P2RX7HRH3

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