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SCHEMBL26962135

SCHEMBL26962135

CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)c2ccc(-c3nnc(C4CN(C(=O)OCc5ccccc5)CC(F)(F)C4)o3)cc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 2/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ CA2 P00918 2/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ ENPP2 Q13822 3/20 0.30
▸ ATXN2 Q99700 2/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ KIT P10721 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
SCHEMBL26962322 0.94 PDE4B (0.33) PDE4BNPY1RKIT
SCHEMBL26961949 0.89 GRM2 (0.32) NPY1RKIT
SCHEMBL26962172 0.89 SRC (0.36) ABHD6DAGLAP2RX7PDE4BNPY1R
SCHEMBL26962067 0.85 PDE4B (0.32) PDE4BNPY1R
SCHEMBL26961712 0.85 THRB (0.33) PDE4BNPY1R
SCHEMBL26961950 0.84 GRM2 (0.32) —
SCHEMBL26961745 0.84 PDE4B (0.40) PDE4BNPY1R
SCHEMBL26961737 0.83 XIAP (0.36) PDE4BNPY1RKIT
SCHEMBL26961787 0.82 XIAP (0.32) NPY1RKIT
SCHEMBL26961664 0.81 GCGR (0.35) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
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