SCHEMBL29973443

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	DPP3	Q9NY33	5/20	0.57

▸	CALCRL	Q16602	5/20	0.53

▸	CAPN1	P07384	2/20	0.51

▸	CTSB	P07858	2/20	0.51

▸	SLC6A2	P23975	1/20	0.49

▸	DPP4	P27487	1/20	0.48

▸	NTSR2	O95665	1/20	0.46

▸	NTSR1	P30989	1/20	0.46

▸	SORT1	Q99523	1/20	0.46

▸	ELANE	P08246	1/20	0.44

▸	KRAS	P01116	1/20	0.44

▸	SOS1	Q07889	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.

Compound	similarity	top predicted	shared targets
SCHEMBL30051571	0.87	DPP3 (0.57)	DPP3CAPN1CTSBDPP4KRAS
SCHEMBL29572021	0.87	DPP3 (0.71)	DPP3CALCRLSLC6A2NTSR2NTSR1
SCHEMBL29498754	0.85	DPP3 (0.61)	DPP3CAPN1CTSBDPP4NTSR2
SCHEMBL30051442	0.85	DPP4 (0.62)	DPP3DPP4NTSR2NTSR1SORT1
SCHEMBL3858206	0.84	DPP3 (0.56)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL3858200	0.84	DPP3 (0.56)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL31307926	0.84	DPP3 (0.59)	DPP3CAPN1CTSBDPP4NTSR2
SCHEMBL30392155	0.84	CAPN1 (0.59)	DPP3CALCRLCAPN1CTSBSLC6A2
SCHEMBL31454970	0.83	KDM4E (0.60)	SLC6A2
SCHEMBL29993706	0.83	DPP3 (0.68)	DPP3SLC6A2

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed