SCHEMBL30605203

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	10/20	0.52

▸	OPRM1	P35372	3/20	0.51

▸	IL23R	Q5VWK5	1/20	0.51

▸	CXCR4	P61073	2/20	0.50

▸	C5AR1	P21730	1/20	0.50

▸	NMUR2	Q9GZQ4	1/20	0.50

▸	NMUR1	Q9HB89	1/20	0.50

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
SCHEMBL29403705	0.92	IL23R (0.55)	OPRD1IL23RC5AR1
SCHEMBL29695588	0.89	OPRD1 (0.54)	OPRD1IL23RC5AR1
SCHEMBL29500565	0.89	OPRD1 (0.54)	OPRD1IL23RC5AR1
SCHEMBL29932218	0.87	OPRM1 (0.53)	OPRD1OPRM1IL23R
SCHEMBL29932155	0.87	OPRM1 (0.53)	OPRD1OPRM1IL23R
SCHEMBL29749864	0.87	OPRM1 (0.53)	OPRD1OPRM1IL23R
SCHEMBL29932201	0.87	OPRM1 (0.53)	OPRD1OPRM1IL23R
SCHEMBL31119895	0.87	NMUR2 (0.60)	OPRD1OPRM1CXCR4NMUR2NMUR1
SCHEMBL30556351	0.87	NMUR2 (0.60)	OPRD1OPRM1CXCR4NMUR2NMUR1
SCHEMBL30437818	0.86	KDM1A (0.53)	OPRD1OPRM1IL23RCXCR4NMUR2

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
US-20230241101-A1	THERAPEUTIC COMPOSITION AND METHOD FOR TREATING CORONAVIRUS INFECTION	BEIJING BJUT SCIENCE AND TECHNOLOGY PARK CO., LTD (CN)	2023-08-03	—	—	US	disclosed