SCHEMBL29871019

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	6/20	0.58

▸	NMUR1	Q9HB89	6/20	0.58

▸	OPRD1	P41143	9/20	0.57

▸	OPRM1	P35372	5/20	0.56

▸	F2	P00734	1/20	0.53

▸	EPHA2	P29317	2/20	0.52

▸	KEAP1	Q14145	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
SCHEMBL31052975	1.00	NMUR2 (0.58)	NMUR2NMUR1OPRD1OPRM1F2
SCHEMBL2053622	0.91	OPRD1 (0.53)	NMUR2NMUR1OPRD1OPRM1F2
SCHEMBL31511428	0.89	OPRD1 (0.58)	NMUR2NMUR1OPRD1OPRM1EPHA2
SCHEMBL23278082	0.89	NMUR2 (0.64)	NMUR2NMUR1OPRD1F2
SCHEMBL29389211	0.89	NMUR2 (0.64)	NMUR2NMUR1OPRD1F2
SCHEMBL25739	0.89	NMUR2 (0.64)	NMUR2NMUR1OPRD1F2
SCHEMBL6852479	0.89	NMUR2 (0.54)	NMUR2NMUR1OPRD1OPRM1EPHA2
Acetic Acid SCHEMBL2037978	0.88	NMUR2 (0.63)	NMUR2NMUR1OPRD1F2
SCHEMBL28366588	0.88	NMUR2 (0.65)	NMUR2NMUR1F2
SCHEMBL31412190	0.88	F2 (0.53)	NMUR2NMUR1OPRD1OPRM1F2

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
CN-115073587-A	Synthesis process of semicontinuous liquid phase synthesis bivalirudin	厦门胜泽泰医药科技有限公司	2022-09-20	—	—	CN	disclosed