SCHEMBL31649430

SCHEMBL31649430

CCC(=O)N(C)Cc1ccccc1.CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CMA1 P23946 10/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL31649391 0.93 ACE (0.50) ACEKMT2AKLK5CMA1CTSL
SCHEMBL556735 0.77 KMT2A (0.53) ACEKMT2ACTSLCTSBCTSS
SCHEMBL31649442 0.75 PRSS1 (0.41) ACEKMT2APRSS1
SCHEMBL31649357 0.74 DPP7 (0.40) ACEKMT2ACACNA1BCTSSF2
SCHEMBL31649419 0.74 SYK (0.54) ACECMA1CTSLCTSS
SCHEMBL31649407 0.74 ALDH1A1 (0.41) KMT2APRSS1
SCHEMBL31649309 0.73 ACHE (0.43) KMT2APRSS1
SCHEMBL31649413 0.73 DPP4 (0.49) ACEF2PRSS1
SCHEMBL31649269 0.73 DPP4 (0.49) ACEF2PRSS1
SCHEMBL31649055 0.73 ACE (0.46) ACEKMT2AKLK5CMA1CTSL

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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