SCHEMBL30553196

SCHEMBL30553196

O=C(N1CC2(CC(Cc3ccc(F)cn3)C2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.37
▸ AVPR2 P30518 7/20 0.33
▸ OXTR P30559 9/20 0.32
▸ AVPR1A P37288 3/20 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
SCHEMBL25324147 1.00 MGLL (0.37) MGLLAVPR2OXTRAVPR1A
SCHEMBL25325214 0.94 MGLL (0.34) MGLLAVPR2OXTR
SCHEMBL30553259 0.94 MGLL (0.34) MGLLAVPR2OXTR
SCHEMBL25327491 0.88 MGLL (0.40) MGLL
SCHEMBL25325125 0.88 MGLL (0.41) MGLLAVPR2OXTRAVPR1A
SCHEMBL25325303 0.86 MGLL (0.37) MGLL
SCHEMBL30553185 0.85 MGLL (0.36) MGLL
SCHEMBL25325185 0.85 MGLL (0.36) MGLL
SCHEMBL25326162 0.84 MGLL (0.36) MGLL
SCHEMBL25324301 0.83 MGLL (0.36) MGLLAVPR2OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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