SCHEMBL1663277

SCHEMBL1663277

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 4/20 0.39
HTR2C P28335 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
ROCK2 O75116 1/20 0.38
HTR2B P41595 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1583729 0.88 PTGDR2 (0.39) PTGDR2LMNAHPGDTSHRHRH3
SCHEMBL1663380 0.85 PTGDR2 (0.44) PTGDR2LMNAHPGDTSHRHRH3
SCHEMBL1583535 0.84 HRH3 (0.49) HRH3
SCHEMBL1662800 0.83 PTGDR2 (0.44) PTGDR2LMNATSHRALDH1A1POLB
SCHEMBL1663275 0.83 GALR2 (0.43) LMNAHPGDTSHRALDH1A1ABHD6
SCHEMBL1583807 0.82 HRH3 (0.42) PTGDR2LMNAHRH3
SCHEMBL1583384 0.81 KDM4E (0.48) LMNAHPGDHRH3ALDH1A1ROCK2
SCHEMBL1662724 0.80 CPS1 (0.44) PTGDR2LMNAHPGDTSHRALDH1A1
SCHEMBL1584282 0.79 SCN9A (0.40) HPGDHRH3ROCK2SMN1; SMN2
SCHEMBL1583489 0.78 SCN9A (0.51) PTGDR2LMNATSHRALDH1A1POLB

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