SCHEMBL30409386

SCHEMBL30409386

O=C1COCC2(CN(C(=O)N3CC4(CC(Cc5cc(F)cc(C(F)(F)F)c5)C4)C3)C2)N1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.37
▸ ATXN2 Q99700 1/20 0.37
▸ MGLL Q99685 8/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CYP3A4 P08684 5/20 0.31
▸ HTT P42858 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL25145967 0.89 MGLL (0.41) MGLLFFAR4TACR1USP2HPGD
SCHEMBL30409758 0.87 ENPP2 (0.39) ENPP2ATXN2MGLL
SCHEMBL30409699 0.87 MGLL (0.37) MGLL
SCHEMBL30409390 0.86 MGLL (0.34) MGLL
SCHEMBL30409746 0.85 MGLL (0.30) MGLL
SCHEMBL30409795 0.84 MGLL (0.33) MGLL
SCHEMBL31549829 0.83 ENPP2 (0.37) ENPP2ATXN2MGLLFFAR4CYP3A4
SCHEMBL30410167 0.83 MGLL (0.41) ENPP2ATXN2MGLL
SCHEMBL30409342 0.82 MGLL (0.40) MGLL
SCHEMBL30409860 0.82 MGLL (0.38) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
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