SCHEMBL30409537

SCHEMBL30409537

O=C1COCC2(CN(C(=O)N3CC4(CC(Cc5ccc(F)cc5C(F)(F)F)C4)C3)C2)N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.37
▸ GPR183 P32249 2/20 0.35
▸ P2RX7 Q99572 6/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ TRPC5 Q9UL62 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
SCHEMBL30410284 0.90 MGLL (0.39) MGLLCYP11B1CYP11B2
SCHEMBL25146135 0.90 MGLL (0.46) MGLLGPR183P2RX7SLC6A2SLC6A4
SCHEMBL30409565 0.88 MGLL (0.43) MGLL
SCHEMBL30410167 0.86 MGLL (0.41) MGLLSLC6A4CYP11B1CYP11B2
SCHEMBL30408797 0.84 MGLL (0.36) MGLLCYP11B1CYP11B2
SCHEMBL30410100 0.83 MGLL (0.37) MGLLGPR183P2RX7SLC6A2SLC6A4
SCHEMBL30409386 0.81 ENPP2 (0.37) MGLL
SCHEMBL30409661 0.81 CACNA1B (0.35) MGLLCYP11B1CYP11B2
SCHEMBL31549767 0.79 P2RX7 (0.38) MGLLGPR183P2RX7SLC6A2SLC6A4
SCHEMBL25146310 0.79 MGLL (0.49) 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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