SCHEMBL29973256

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	7/20	0.58

▸	NMUR1	Q9HB89	6/20	0.58

▸	OPRM1	P35372	4/20	0.55

▸	OPRD1	P41143	3/20	0.55

▸	EPHA2	P29317	1/20	0.52

▸	IL23R	Q5VWK5	1/20	0.52

▸	NPFFR1	Q9GZQ6	1/20	0.52

▸	NPFFR2	Q9Y5X5	1/20	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
SCHEMBL29484754	0.98	OPRM1 (0.58)	NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL30728124	0.97	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL17857883	0.97	NMUR2 (0.59)	NMUR2NMUR1OPRM1OPRD1IL23R
Acetic Acid SCHEMBL30979611	0.95	NMUR2 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL30979614	0.95	OPRM1 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL29416537	0.95	OPRM1 (0.58)	NMUR2NMUR1OPRM1OPRD1IL23R
SCHEMBL31473044	0.95	NMUR2 (0.58)	NMUR2NMUR1OPRM1OPRD1EPHA2
SCHEMBL29973454	0.92	NMUR2 (0.57)	NMUR2NMUR1OPRM1OPRD1NPFFR1
SCHEMBL31707422	0.92	NMUR2 (0.59)	NMUR2NMUR1IL23R
SCHEMBL8193601	0.91	NMUR2 (0.60)	NMUR2NMUR1OPRM1OPRD1EPHA2

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