SCHEMBL29973278

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TACR2	P21452	6/20	0.66

▸	DPP3	Q9NY33	4/20	0.60

▸	OPRM1	P35372	1/20	0.56

▸	CCKBR	P32239	1/20	0.54

▸	CXCL8	P10145	4/20	0.54

▸	CAPN1	P07384	2/20	0.53

▸	CTSB	P07858	2/20	0.53

▸	TACR1	P25103	2/20	0.53

▸	OPRD1	P41143	1/20	0.53

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
SCHEMBL16353708	0.93	TACR2 (0.70)	TACR2DPP3OPRM1CCKBRCXCL8
SCHEMBL29973306	0.90	TACR2 (0.63)	TACR2DPP3OPRM1CCKBRCXCL8
SCHEMBL16353709	0.90	TACR2 (0.76)	TACR2DPP3OPRM1CCKBRCXCL8
SCHEMBL29974089	0.84	DPP3 (0.66)	DPP3OPRM1CAPN1CTSBTACR1
SCHEMBL29603037	0.83	CXCL8 (0.59)	TACR2DPP3CXCL8CAPN1CTSB
SCHEMBL30957021	0.82	DPP3 (0.59)	DPP3CXCL8CAPN1CTSBTACR1
SCHEMBL30413052	0.82	DPP3 (0.66)	DPP3OPRM1CAPN1CTSB
SCHEMBL30231933	0.82	DPP3 (0.60)	DPP3OPRM1CCKBRTACR1OPRD1
SCHEMBL31060381	0.82	TACR2 (0.64)	TACR2DPP3CXCL8CAPN1CTSB
SCHEMBL30140869	0.81	F13A1 (0.64)	TACR2DPP3OPRM1CAPN1CTSB

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