SCHEMBL31649228

SCHEMBL31649228

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.45
▸ ACE2 Q9BYF1 2/20 0.45
▸ PREP P48147 2/20 0.37
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ ELANE P08246 1/20 0.34
▸ DPP4 P27487 5/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTSK P43235 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31649210 0.87 ACE (0.47) ACEACE2ITGB3ITGA2BELANE
SCHEMBL31649348 0.82 CTSS (0.47) ACEITGB3ITGA2BCTSKCTSL
SCHEMBL31649181 0.77 ACE (0.47) ACEACE2PREPELANEDPP4
SCHEMBL31649445 0.76 ACE (0.46) ACEACE2PREPELANEDPP4
SCHEMBL31649212 0.76 ACE (0.47) ACEACE2PREPITGB3ITGA2B
SCHEMBL31649424 0.76 ACE (0.46) ACEACE2PREPELANEDPP4
SCHEMBL8569656 0.72 CTSS (0.43) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL8561162 0.72 CTSS (0.41) NPC1RAB9ASMN1; SMN2CTSKCTSL
SCHEMBL31649201 0.70 DPP7 (0.55) DPP4
SCHEMBL9705353 0.69 ACE (0.61) ACEACE2MAPTL3MBTL1

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
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