SCHEMBL29584692

SCHEMBL29584692

COC(=O)C1CCN(C(=O)c2cc(-c3cc(OC)ncn3)[nH]n2)C2(CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ KDM5A P29375 10/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PDK1 Q15118 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PDK3 Q15120 1/20 0.30
▸ PDK4 Q16654 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24423144 1.00 TBK1 (0.33) TBK1LRRK2KDM5AOPRM1OPRL1
SCHEMBL24424274 0.92 LRRK2 (0.37) TBK1LRRK2KDM5APDK1PDK2
SCHEMBL29584713 0.92 LRRK2 (0.37) TBK1LRRK2KDM5APDK1PDK2
SCHEMBL29584774 0.91 KDM4E (0.33) TBK1LRRK2KDM5APDK1PDK2
SCHEMBL25090753 0.91 KDM4E (0.33) TBK1LRRK2KDM5APDK1PDK2
SCHEMBL24424720 0.90 LRRK2 (0.32) LRRK2KDM5AJAK2JAK3SMN1; SMN2
SCHEMBL24424718 0.90 LRRK2 (0.32) LRRK2KDM5AJAK2JAK3SMN1; SMN2
SCHEMBL24424721 0.90 LRRK2 (0.32) LRRK2KDM5AJAK2JAK3SMN1; SMN2
SCHEMBL25090732 0.87 KDM5A (0.34) KDM5AHPGDHSD17B10
SCHEMBL24424249 0.86 KDM5A (0.32) KDM5APDK1PDK2PDK3PDK4

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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