SCHEMBL1665542

SCHEMBL1665542

CC(C)(C)N(C[C@@H]1CC[C@@H](CO)C1)C(=O)O.CCOC(=O)Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL1583907 0.87 NR1H2 (0.35) NR1H2CNR2
SCHEMBL343584 0.77 ALOX5 (0.35) NR1H2
SCHEMBL343583 0.77 ALOX5 (0.35) NR1H2
SCHEMBL16292529 0.75 ALOX5 (0.39) CNR2
SCHEMBL15208339 0.74 CNR2 (0.30) CNR2
SCHEMBL15208343 0.74 CNR2 (0.30) CNR2
SCHEMBL15209105 0.73 CYP3A4 (0.33)
SCHEMBL15209106 0.73 CYP3A4 (0.33)
SCHEMBL2018784 0.72 DAO (0.33)
SCHEMBL1498383 0.70 ALOX5 (0.34)

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