SCHEMBL31649159

SCHEMBL31649159

CC(C)(C)OC(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.44
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ CMA1 P23946 7/20 0.40
▸ CTRC Q99895 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL31649439 0.94 HTR1A (0.44) ACEF2PRSS1CMA1CTRC
SCHEMBL31649265 0.91 ACE (0.45) ACEF2PRSS1CMA1NPC1
Hydrochloric Acid SCHEMBL31649337 0.89 F2 (0.41) ACEF2PRSS1CMA1CTRC
SCHEMBL31649181 0.85 ACE (0.47) ACEMMP9MMP1MMP3NPC1
SCHEMBL31649445 0.81 ACE (0.46) ACENPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL31649424 0.80 ACE (0.46) ACENPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL31649231 0.79 ACE (0.45) ACEF2PRSS1CMA1CTRC
SCHEMBL31649054 0.78 AKT1 (0.49) ACEMMP9MMP1MMP3SCN9A
SCHEMBL28538006 0.78 AKT1 (0.49) ACEMMP9MMP1MMP3SCN9A
SCHEMBL31649183 0.77 DPP7 (0.51) NPC1RAB9ASMN1; SMN2HTR1AHTR7

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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