SCHEMBL29972798

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.56

▸	OPRD1	P41143	5/20	0.55

▸	IL23R	Q5VWK5	1/20	0.54

▸	EPHA2	P29317	2/20	0.54

▸	NTSR1	P30989	2/20	0.53

▸	OPRM1	P35372	1/20	0.52

▸	NTSR2	O95665	1/20	0.52

▸	SORT1	Q99523	1/20	0.52

▸	CXCR4	P61073	2/20	0.52

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
SCHEMBL31477658	0.91	OPRD1 (0.65)	OPRD1NTSR1OPRM1NTSR2SORT1
SCHEMBL31477655	0.91	OPRD1 (0.65)	OPRD1NTSR1OPRM1NTSR2SORT1
SCHEMBL29656050	0.86	NTSR1 (0.59)	C5AR1OPRD1NTSR1NTSR2SORT1
SCHEMBL29993928	0.85	NMUR2 (0.51)	OPRD1EPHA2NTSR1OPRM1NTSR2
SCHEMBL31267124	0.85	NMUR2 (0.59)	C5AR1OPRD1IL23REPHA2NTSR1
SCHEMBL30063854	0.85	EPHA2 (0.57)	C5AR1EPHA2NTSR1
SCHEMBL31267105	0.84	EPHA2 (0.55)	C5AR1OPRD1IL23REPHA2NTSR1
SCHEMBL30063804	0.84	EPHA2 (0.58)	C5AR1OPRD1EPHA2OPRM1
SCHEMBL30906006	0.84	NTSR1 (0.57)	C5AR1NTSR1NTSR2SORT1
SCHEMBL31078160	0.84	OPRD1 (0.54)	C5AR1OPRD1IL23R

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