SCHEMBL30553211

SCHEMBL30553211

O=C(N1CC2(CCC(Oc3ccnc(C(F)(F)F)n3)CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.38
▸ AXL P30530 2/20 0.33
▸ TYRO3 Q06418 2/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ MGLL Q99685 8/20 0.32
▸ LOXL2 Q9Y4K0 2/20 0.31
▸ ABHD6 Q9BV23 2/20 0.30
▸ FAAH O00519 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ DPP7 Q9UHL4 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
SCHEMBL25326125 1.00 MALT1 (0.38) MALT1AXLTYRO3MERTKMGLL
SCHEMBL25327189 0.83 LOXL2 (0.34) MGLLLOXL2ABHD6FAAH
SCHEMBL30553180 0.83 LOXL2 (0.34) MGLLLOXL2ABHD6FAAH
SCHEMBL30553320 0.82 GPR119 (0.35) MGLLLOXL2ABHD6
SCHEMBL25326437 0.82 GPR119 (0.35) MGLLLOXL2ABHD6
SCHEMBL30700206 0.80 MALT1 (0.35) MALT1AXLTYRO3MERTKLOXL2
SCHEMBL25323027 0.80 MGLL (0.36) MGLLABHD6FAAH
SCHEMBL25326016 0.80 LOXL2 (0.33) MGLLLOXL2ABHD6FAAH
SCHEMBL30553210 0.80 LOXL2 (0.33) MGLLLOXL2ABHD6FAAH
SCHEMBL25145999 0.78 MGLL (0.42) MALT1MGLL

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
Send feedback