SCHEMBL24144535

SCHEMBL24144535

CCCn1cc(CC(C)C)c2cc(-c3ccncc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 3/20 0.66
▸ ICMT O60725 12/20 0.43
▸ AAK1 Q2M2I8 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL24143591 0.89 NR1D1 (0.64) NR1D1ICMTAAK1SCN9A
SCHEMBL24144536 0.87 NR1D1 (0.71) NR1D1ICMTAAK1SCN9A
SCHEMBL24143034 0.81 NR1D1 (0.67) NR1D1AAK1
SCHEMBL24143029 0.80 NR1D1 (1.00) NR1D1
SCHEMBL24144136 0.78 CYP19A1 (0.44) NR1D1ICMTCNR1CNR2
SCHEMBL26673713 0.78 NR1D1 (0.61) NR1D1ICMTAAK1SCN9A
SCHEMBL24143545 0.74 NR1D1 (0.55) NR1D1ICMTAAK1
SCHEMBL24144465 0.72 NR1D1 (0.48) NR1D1ICMTAAK1
SCHEMBL18029322 0.70 NR4A2 (0.53) NR1D1ICMTCNR1CNR2SCN9A
SCHEMBL24143156 0.70 NR1D1 (0.66) NR1D1

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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