SCHEMBL24144679

SCHEMBL24144679

CN(C)SNCCc1cn(CCc2ccccc2)c2cc(-c3ccncc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 12/20 0.49
▸ HTR6 P50406 2/20 0.45
▸ HDAC8 Q9BY41 1/20 0.38
▸ HAT1 O14929 3/20 0.37
▸ EP300 Q09472 3/20 0.37
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL24143293 0.85 NR1D1 (0.57) NR1D1
SCHEMBL24143294 0.84 NR1D1 (0.47) NR1D1HTR6GSK3B
SCHEMBL24144664 0.84 NR1D1 (0.49) NR1D1
SCHEMBL24143302 0.84 NR1D1 (0.48) NR1D1GSK3B
SCHEMBL24143919 0.83 NR1D1 (0.47) NR1D1HTR6
SCHEMBL24143305 0.83 NR1D1 (0.47) NR1D1HTR6
SCHEMBL24144682 0.83 NR1D1 (0.72) NR1D1
SCHEMBL24144642 0.83 NR1D1 (0.49) NR1D1HTR6HAT1EP300GSK3B
SCHEMBL24142882 0.80 HTR6 (0.44) NR1D1HTR6HDAC8
SCHEMBL24144264 0.80 NR1D1 (0.52) NR1D1HTR6GSK3B

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-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — WO disclosed
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