SCHEMBL31649419

SCHEMBL31649419

CC(C)(C)OC(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.54
▸ PREP P48147 2/20 0.49
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ ACE P12821 2/20 0.47
▸ CTSL P07711 3/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ CTSK P43235 4/20 0.45
▸ CTSS P25774 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ FKBP1A P62942 1/20 0.44

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
SCHEMBL12493357 0.88 ACE (0.56) SYKPREPITGB3ITGA2BACE
SCHEMBL12494238 0.86 FKBP1A (0.53) SYKPREPITGB3ITGA2BACE
SCHEMBL12494239 0.86 FKBP1A (0.53) SYKPREPITGB3ITGA2BACE
SCHEMBL12494481 0.86 FKBP1A (0.53) SYKPREPITGB3ITGA2BACE
SCHEMBL1300212 0.85 ACE (0.61) SYKPREPITGB3ITGA2BACE
SCHEMBL1300209 0.85 ACE (0.61) SYKPREPITGB3ITGA2BACE
SCHEMBL12105494 0.84 FKBP1A (0.55) SYKPREPITGB3ITGA2BACE
SCHEMBL19217464 0.83 KLK5 (0.58) SYKPREPITGB3ITGA2BACE
SCHEMBL6793017 0.82 SYK (0.61) SYKITGB3ITGA2BCTSLCTSK
SCHEMBL14497033 0.79 SYK (0.60) SYKITGB3ITGA2BCTSK

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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