SCHEMBL16889094

SCHEMBL16889094

O=C(c1cccc2ccccc12)N1Cc2ccccc2CC1COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 18/20 1.00
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44

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
SCHEMBL16888933 1.00 NR1D1 (1.00) NR1D1HCRTR1HCRTR2FNTAFNTB
SCHEMBL16888986 0.94 NR1D1 (1.00) NR1D1HCRTR1HCRTR2FNTAFNTB
SCHEMBL16888936 0.92 NR1D1 (1.00) NR1D1HCRTR1HCRTR2
SCHEMBL16888928 0.92 NR1D1 (1.00) NR1D1HCRTR1HCRTR2
SCHEMBL16888997 0.92 NR1D1 (1.00) NR1D1
SCHEMBL16888893 0.92 NR1D1 (0.84) NR1D1HCRTR1HCRTR2
SCHEMBL16888962 0.92 NR1D1 (0.85) NR1D1HCRTR1HCRTR2
SCHEMBL16888900 0.92 NR1D1 (0.84) NR1D1HCRTR1HCRTR2
SCHEMBL16888956 0.91 NR1D1 (0.83) NR1D1HCRTR1HCRTR2
SCHEMBL16889063 0.90 NR1D1 (0.82) NR1D1HCRTR1HCRTR2

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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