SCHEMBL9450486

CC(C)(C)OC(=O)OC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	4/20	0.46

▸	OPRM1	P35372	7/20	0.43

▸	OPRK1	P41145	6/20	0.43

▸	CMA1	P23946	3/20	0.42

▸	F2	P00734	1/20	0.41

▸	PRSS1	P07477	1/20	0.41

▸	ITGB3	P05106	1/20	0.41

▸	ITGA2B	P08514	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

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
Hydrochloric Acid SCHEMBL9450484	0.88	EPHA2 (0.50)	EPHA2OPRM1OPRK1F2OPRD1
SCHEMBL9450499	0.81	EPHA2 (0.50)	EPHA2OPRM1OPRK1
SCHEMBL11315822	0.80	CMA1 (0.52)	OPRM1OPRK1CMA1OPRD1
SCHEMBL9450495	0.79	ITGB3 (0.44)	EPHA2CMA1F2PRSS1ITGB3
SCHEMBL9450494	0.79	EPHA2 (0.48)	EPHA2OPRM1OPRK1
SCHEMBL8366341	0.76	F2 (0.56)	EPHA2OPRM1OPRK1CMA1F2
SCHEMBL29560799	0.76	F2 (0.62)	CMA1F2PRSS1
SCHEMBL29562010	0.76	F2 (0.62)	CMA1F2PRSS1
SCHEMBL9815839	0.76	F2 (0.62)	OPRM1OPRK1CMA1F2PRSS1
SCHEMBL30799488	0.75	OPRM1 (0.57)	EPHA2OPRM1OPRK1

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-5212287-A	Multistage synthesis of oligopeptides with protection of side groups then deprotection after reaction	IMMUNETECH PHARMACEUTICALS, INC. (US)	1993-05-18	—	—	US	disclosed