SCHEMBL29073046

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

nearest known ligand 0.57

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.57

▸	NMUR2	Q9GZQ4	7/20	0.55

▸	NMUR1	Q9HB89	6/20	0.55

▸	OPRD1	P41143	5/20	0.54

▸	OPRM1	P35372	4/20	0.54

▸	CXCR4	P61073	2/20	0.52

▸	IL23R	Q5VWK5	1/20	0.51

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
SCHEMBL29073057	0.97	EPHA2 (0.56)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29073061	0.97	EPHA2 (0.56)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29276555	0.93	EPHA2 (0.57)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL8193601	0.92	NMUR2 (0.60)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL31323240	0.90	EPHA2 (0.59)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29484754	0.89	OPRM1 (0.58)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL29973256	0.89	NMUR2 (0.58)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL30728124	0.88	NMUR2 (0.57)	NMUR2NMUR1OPRD1OPRM1CXCR4
SCHEMBL19728630	0.87	NMUR2 (0.53)	EPHA2NMUR2NMUR1OPRD1OPRM1
SCHEMBL30979614	0.86	OPRM1 (0.58)	NMUR2NMUR1OPRD1OPRM1IL23R

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-116773701-A	Method for detecting related substances of desmopressin acetate oral solution	深圳市贝美药业有限公司	2023-09-19	—	—	CN	disclosed