SCHEMBL1663275

SCHEMBL1663275

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.43
GALR1 P47211 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PDE4B Q07343 3/20 0.41
NR1H2 P55055 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALK Q9UM73 1/20 0.41
ENPP2 Q13822 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE5A O76074 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ESR2 Q92731 1/20 0.40
ABCB1 P08183 1/20 0.39
STS P08842 1/20 0.39
F13A1 P00488 1/20 0.39

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
SCHEMBL22650491 0.86 NR1H2 (0.46) LMNANR1H2MAPTALDH1A1ENPP2
SCHEMBL1583728 0.86 ESR2 (0.44) LMNANR1H2MAPTALDH1A1ENPP2
SCHEMBL3312798 0.85 MAPT (0.45) LMNAPDE4BNR1H2MAPTALDH1A1
SCHEMBL31342592 0.84 SUV39H2 (0.44) LMNANR1H2MAPTALDH1A1ALK
SCHEMBL25088458 0.83 ENPP2 (0.43) LMNANR1H2MAPTALDH1A1ENPP2
SCHEMBL1663317 0.83 NR1H2 (0.40) GALR2GALR1PDE4BNR1H2MAPT
SCHEMBL1663277 0.83 PTGDR2 (0.49) LMNAHPGDTSHRALDH1A1ABHD6
SCHEMBL31347224 0.83 MAPT (0.50) LMNANR1H2MAPTALDH1A1ENPP2
SCHEMBL31195734 0.82 ALK (0.55) GALR2GALR1LMNAMAPTALDH1A1
SCHEMBL1583532 0.82 P2RX7 (0.51) LMNANR1H2MAPTALDH1A1ENPP2

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