SCHEMBL29585305

SCHEMBL29585305

COc1cc(-c2cc(C(=O)N3[C@@H]4CCC[C@H]3CC4)n[nH]2)c(Cl)cn1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.33
▸ CHRM4 P08173 3/20 0.33
▸ KDM5A P29375 3/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ REN P00797 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
SCHEMBL24423714 1.00 MGLL (0.33) MGLLCHRM4KDM5APIK3CAMTOR
SCHEMBL24423448 1.00 MGLL (0.33) MGLLCHRM4KDM5APIK3CAMTOR
SCHEMBL29584640 0.88 CYP4F2 (0.36) CHRM4AKR1C3LRRK2FFAR2SMO
SCHEMBL24423713 0.88 CYP4F2 (0.36) CHRM4AKR1C3LRRK2FFAR2SMO
SCHEMBL24423091 0.88 MGLL (0.39) MGLLCYP3A4REN
SCHEMBL24423338 0.88 MGLL (0.39) MGLLCYP3A4REN
SCHEMBL24423068 0.88 MGLL (0.39) MGLLCYP3A4REN
SCHEMBL24423965 0.88 MGLL (0.39) MGLLCYP3A4REN
SCHEMBL24423081 0.88 MGLL (0.39) MGLLCYP3A4REN
SCHEMBL29585204 0.88 MGLL (0.39) MGLLCYP3A4REN

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 2 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
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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