SCHEMBL31649348

SCHEMBL31649348

CC(C)(C)OC(=O)N[C@H](CC#N)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 14/20 0.47
▸ CTSK P43235 13/20 0.47
▸ ACE P12821 1/20 0.41
▸ CTSL P07711 3/20 0.41
▸ CTSB P07858 3/20 0.41
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL31649228 0.82 ACE (0.45) CTSSCTSKACECTSLITGB3
SCHEMBL31649426 0.81 DPP7 (0.42) CTSSCTSKACEITGB3ITGA2B
SCHEMBL31649357 0.79 DPP7 (0.40) CTSSCTSKACEITGB3ITGA2B
SCHEMBL31649265 0.77 ACE (0.45) ACE
SCHEMBL31649055 0.76 ACE (0.46) ACECTSL
SCHEMBL31649159 0.76 ACE (0.44) ACEITGB3ITGA2B
SCHEMBL31649391 0.76 ACE (0.50) ACECTSL
SCHEMBL31649231 0.74 ACE (0.45) ACEITGB3ITGA2B
SCHEMBL31649255 0.74 DPP7 (0.46) ACE
SCHEMBL8250574 0.73 DPP4 (0.54) —

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
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
Send feedback