SCHEMBL31649265

SCHEMBL31649265

CC(C)(C)OC(=O)N[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)N1CCC[C@H]2CCCC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CMA1 P23946 6/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ ELANE P08246 1/20 0.38

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
SCHEMBL31649159 0.91 ACE (0.44) ACEKLK5F2PRSS1NPC1
SCHEMBL31649439 0.88 HTR1A (0.44) ACEF2PRSS1MAPK1CMA1
Hydrochloric Acid SCHEMBL31649337 0.84 F2 (0.41) ACEF2PRSS1CMA1
SCHEMBL31649391 0.78 ACE (0.50) ACEKLK5F2PRSS1KMT2A
SCHEMBL31649055 0.78 ACE (0.46) ACEKLK5F2PRSS1KMT2A
SCHEMBL31649285 0.77 PPARA (0.51) ACE
SCHEMBL6388649 0.77 AKT1 (0.46) ACE
SCHEMBL31649348 0.77 CTSS (0.47) ACE
SCHEMBL31649231 0.76 ACE (0.45) ACEKLK5F2PRSS1KMT2A
SCHEMBL31649045 0.76 DPP7 (0.47) NPC1RAB9ASMN1; SMN2

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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