SCHEMBL22451884

CC(C)CC(NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(N)CS)C(=O)NC(CS)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	14/20	0.64

▸	OPRK1	P41145	14/20	0.64

▸	NMUR2	Q9GZQ4	1/20	0.60

▸	NMUR1	Q9HB89	1/20	0.60

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	EPHA2	P29317	2/20	0.56

▸	CXCR4	P61073	1/20	0.56

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
SCHEMBL29903316	0.88	NPY2R (0.64)	EPHA2CXCR4
SCHEMBL30544090	0.88	OPRM1 (0.57)	OPRM1OPRK1NMUR2NMUR1MAPK8
SCHEMBL29856103	0.88	TFPI (0.60)	OPRM1OPRK1EPHA2
SCHEMBL29828704	0.87	NMUR2 (0.62)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL30924747	0.87	MAPK8 (0.61)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL30799488	0.87	OPRM1 (0.57)	OPRM1OPRK1NMUR2NMUR1EPHA2
SCHEMBL30924728	0.87	EPHA2 (0.65)	NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31529692	0.86	CALCR (0.59)	OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL31529687	0.86	CALCR (0.59)	OPRM1OPRK1MAPK8MAPK9MAPK10
SCHEMBL30973963	0.86	OPRM1 (0.64)	OPRM1OPRK1NMUR2NMUR1EPHA2

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-20200297633-A1	PEPTIDE-TARGETED LIPOSOMAL DELIVERY FOR TREATMENT, DIAGNOSIS, AND IMAGING OF DISEASES AND DISORDERS	THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS	2020-09-24	—	—	US	disclosed