SCHEMBL29584643

SCHEMBL29584643

COc1cc(-c2cc(C(=O)N3C4CCC3CC(C(N)=O)C4)n[nH]2)c(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ HCRTR2 O43614 4/20 0.34
▸ TRPC6 Q9Y210 3/20 0.34
▸ FFAR1 O14842 6/20 0.33
▸ TBK1 Q9UHD2 3/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ NNMT P40261 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ MGLL Q99685 1/20 0.31

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
SCHEMBL25090532 1.00 FFAR4 (0.34) FFAR4HCRTR2TRPC6FFAR1TBK1
SCHEMBL29243425 0.92 FFAR4 (0.36) FFAR4HCRTR2FFAR1TBK1CYP3A4
SCHEMBL29584172 0.92 FFAR4 (0.36) FFAR4HCRTR2FFAR1TBK1CYP3A4
SCHEMBL24424175 0.92 FFAR4 (0.36) FFAR4HCRTR2FFAR1TBK1CYP3A4
SCHEMBL24423081 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1TBK1EGLN1
SCHEMBL24423091 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1TBK1EGLN1
SCHEMBL24423068 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1TBK1EGLN1
SCHEMBL24423338 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1TBK1EGLN1
SCHEMBL24423965 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1TBK1EGLN1
SCHEMBL29585204 0.88 MGLL (0.39) FFAR4HCRTR2FFAR1TBK1EGLN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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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