SCHEMBL16889063

SCHEMBL16889063

C[N+](C)(C)c1ccc(OC[C@@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 18/20 0.82
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16888997 0.90 NR1D1 (1.00) NR1D1
SCHEMBL16888936 0.90 NR1D1 (1.00) NR1D1HCRTR1HCRTR2ALDH1A1
SCHEMBL16888962 0.90 NR1D1 (0.85) NR1D1HCRTR1HCRTR2ALDH1A1
SCHEMBL16888933 0.90 NR1D1 (1.00) NR1D1HCRTR1HCRTR2
SCHEMBL16889094 0.90 NR1D1 (1.00) NR1D1HCRTR1HCRTR2
SCHEMBL16888957 0.88 NR1D1 (0.85) NR1D1HCRTR1HCRTR2
SCHEMBL16888986 0.88 NR1D1 (1.00) NR1D1HCRTR1HCRTR2
SCHEMBL16888893 0.88 NR1D1 (0.84) NR1D1HCRTR1HCRTR2
SCHEMBL16888928 0.88 NR1D1 (1.00) NR1D1HCRTR1HCRTR2
SCHEMBL16888990 0.87 NR1D1 (0.82) NR1D1HCRTR1HCRTR2ALDH1A1

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-2015103527-A1 MODULATORS OF REV-ERB THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-09 — — WO disclosed
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