SCHEMBL26227418

SCHEMBL26227418

CC(C)(C)OC(=O)NC(Sc1ccccc1)c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 15/20 0.43
▸ CTSK P43235 12/20 0.43
▸ CTSB P07858 4/20 0.41
▸ CTSL P07711 2/20 0.41
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL21504982 0.85 CTSS (0.46) CTSSCTSKCTSBCTSLAAK1
SCHEMBL21665877 0.84 CTSS (0.43) CTSSCTSKCTSBCTSL
SCHEMBL20997615 0.82 CTSS (0.41) CTSSCTSKCTSBCTSL
SCHEMBL17477724 0.80 TRPV4 (0.40) CTSSCTSKCTSBCTSLLMNA
SCHEMBL30570520 0.80 TRPV4 (0.40) CTSSCTSKCTSBCTSLLMNA
SCHEMBL20997532 0.80 CTSS (0.44) CTSSCTSKCTSBCTSL
SCHEMBL7995586 0.72 CTSK (0.54) CTSSCTSKCTSBCTSLLMNA
SCHEMBL1725234 0.69 LMNA (0.51) LMNAPOLBAAK1
SCHEMBL24821266 0.69 EPHX2 (0.46) LMNAPOLBAAK1
SCHEMBL30392363 0.69 EPHX2 (0.46) LMNAPOLBAAK1

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-3604308-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2023-09-13 — — EP disclosed
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