SCHEMBL30767615

SCHEMBL30767615

COc1ccc(-c2ccc(CN3C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(F)(F)c4cc(F)c(-c5nnc(C(C)(C)C#N)o5)cc43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ FAAH O00519 1/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32
▸ XIAP P98170 1/20 0.31
▸ KCNH2 Q12809 5/20 0.31
▸ MCHR1 Q99705 5/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ PARP2 Q9UGN5 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 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
SCHEMBL30767411 1.00 CNR1 (0.32) CNR1CNR2FAAHABHD6XIAP
SCHEMBL30767420 1.00 CNR1 (0.32) CNR1CNR2FAAHABHD6XIAP
SCHEMBL30767587 0.93 CPB2 (0.32) PDE2A
SCHEMBL30767594 0.93 CPB2 (0.32) PDE2A
SCHEMBL30767479 0.93 CPB2 (0.32) PDE2A
SCHEMBL31665008 0.93 GRM2 (0.33) FAAH
SCHEMBL30767412 0.92 NPY1R (0.33) XIAP
SCHEMBL30767505 0.92 NPY1R (0.33) XIAP
SCHEMBL30767620 0.91 F10 (0.32) CNR1CNR2FAAHABHD6XIAP
SCHEMBL30767676 0.91 F10 (0.32) CNR1CNR2FAAHABHD6XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568960-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
WO-2024033458-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 — — WO disclosed
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