SCHEMBL30553155

SCHEMBL30553155

O=C(N1CC2(CC(Oc3ncc(F)cc3Cl)C2)C1)N1CC2(CC(c3nc(C4CC4)n[nH]3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 9/20 0.37
▸ MGLL Q99685 5/20 0.37
▸ ABHD6 Q9BV23 2/20 0.35
▸ OXTR P30559 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ ACACB O00763 1/20 0.32

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
SCHEMBL25328172 1.00 IP6K1 (0.37) IP6K1MGLLABHD6OXTRSCN9A
SCHEMBL25326402 0.83 DGAT1 (0.35) MGLLABHD6OXTR
SCHEMBL25323909 0.83 MGLL (0.37) MGLLABHD6SCN9AACACB
SCHEMBL25326537 0.80 MMP1 (0.39) IP6K1MGLLOXTR
SCHEMBL30553301 0.80 MMP1 (0.39) IP6K1MGLLOXTR
SCHEMBL25324404 0.78 MGLL (0.41) MGLL
SCHEMBL25328508 0.78 LOXL2 (0.36) MGLLSSTR4ACACB
SCHEMBL30410656 0.77 MGLL (0.51) IP6K1MGLLABHD6
SCHEMBL25325688 0.76 MGLL (0.37) MGLL
SCHEMBL30553299 0.76 MGLL (0.37) 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 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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