SCHEMBL24144536

SCHEMBL24144536

CNCCn1cc(CC(C)C)c2cc(-c3ccncc3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 6/20 0.71
▸ NR4A2 P43354 1/20 0.40
▸ ICMT O60725 9/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ AAK1 Q2M2I8 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
SCHEMBL24144535 0.87 NR1D1 (0.66) NR1D1ICMTSCN9AAAK1
SCHEMBL24143591 0.86 NR1D1 (0.64) NR1D1NR4A2ICMTSCN9AAAK1
SCHEMBL24143029 0.83 NR1D1 (1.00) NR1D1
SCHEMBL24143038 0.82 NR1D1 (0.72) NR1D1
SCHEMBL26673713 0.81 NR1D1 (0.61) NR1D1NR4A2ICMTSCN9AAAK1
SCHEMBL24144137 0.79 NR1D1 (0.46) NR1D1
SCHEMBL24144480 0.73 NR1D1 (0.62) NR1D1NR4A2ICMT
SCHEMBL24144274 0.72 NR1D1 (0.74) NR1D1
SCHEMBL24143545 0.71 NR1D1 (0.55) NR1D1ICMTAAK1
SCHEMBL24144007 0.69 NR1D1 (0.64) NR1D1ICMT

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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