SCHEMBL31649357

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

nearest known ligand 0.40

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	DPP7	Q9UHL4	1/20	0.40

▸	ACE	P12821	1/20	0.39

▸	CACNA1B	Q00975	1/20	0.38

▸	ITGB3	P05106	8/20	0.36

▸	ITGA2B	P08514	8/20	0.36

▸	HDAC4	P56524	1/20	0.36

▸	HDAC1	Q13547	1/20	0.36

▸	HDAC6	Q9UBN7	1/20	0.36

▸	F2	P00734	1/20	0.36

▸	PRSS1	P07477	1/20	0.36

▸	DPP4	P27487	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	CTSS	P25774	1/20	0.35

▸	CTSK	P43235	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

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.

Compound	similarity	top predicted	shared targets
SCHEMBL31649426	0.85	DPP7 (0.42)	DPP7ACEITGB3ITGA2BHDAC4
SCHEMBL31649359	0.83	DPP7 (0.55)	DPP7DPP4
SCHEMBL31649391	0.79	ACE (0.50)	ACEF2PRSS1KMT2A
SCHEMBL31649255	0.79	DPP7 (0.46)	DPP7ACEDPP4
SCHEMBL31649348	0.79	CTSS (0.47)	ACEITGB3ITGA2BHDAC4HDAC1
SCHEMBL31649400	0.76	DPP4 (0.53)	DPP7DPP4
SCHEMBL31649430	0.74	ACE (0.45)	ACECACNA1BF2PRSS1CTSS
SCHEMBL31649265	0.73	ACE (0.45)	ACECACNA1BF2PRSS1KMT2A
SCHEMBL31649159	0.72	ACE (0.44)	ACEITGB3ITGA2BF2PRSS1
SCHEMBL5141638	0.71	TSHR (0.45)	ITGB3ITGA2BALDH1A1LMNACTSS

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2025132943-A1	DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS	BREAKPOINT THERAPEUTICS GMBH (DE)	2025-06-26	—	—	WO	disclosed