SCHEMBL24423091

SCHEMBL24423091

COc1cc(-c2cc(C(=O)N3C4CCC[C@@H]3CC4)n[nH]2)c(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ FFAR1 O14842 8/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CFTR P13569 2/20 0.34
▸ REN P00797 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33

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
SCHEMBL24423338 1.00 MGLL (0.39) MGLLFFAR4TBK1HCRTR2FFAR1
SCHEMBL24423081 1.00 MGLL (0.39) MGLLFFAR4TBK1HCRTR2FFAR1
SCHEMBL29585204 1.00 MGLL (0.39) MGLLFFAR4TBK1HCRTR2FFAR1
SCHEMBL24423965 1.00 MGLL (0.39) MGLLFFAR4TBK1HCRTR2FFAR1
SCHEMBL24423068 1.00 MGLL (0.39) MGLLFFAR4TBK1HCRTR2FFAR1
SCHEMBL29584172 0.88 FFAR4 (0.36) FFAR4TBK1HCRTR2FFAR1CYP3A4
SCHEMBL29243425 0.88 FFAR4 (0.36) FFAR4TBK1HCRTR2FFAR1CYP3A4
SCHEMBL24424175 0.88 FFAR4 (0.36) FFAR4TBK1HCRTR2FFAR1CYP3A4
SCHEMBL24423714 0.88 MGLL (0.33) MGLLRENCYP3A4
SCHEMBL24423448 0.88 MGLL (0.33) MGLLRENCYP3A4

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-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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