SCHEMBL29878209

CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.85

▸	NTSR1	P30989	7/20	0.76

▸	OPRM1	P35372	1/20	0.75

▸	OPRK1	P41145	1/20	0.75

▸	NTSR2	O95665	3/20	0.73

▸	SORT1	Q99523	2/20	0.68

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
Dynorphin A (1-11) SCHEMBL30132402	0.99	OPRD1 (0.86)	OPRD1NTSR1OPRM1OPRK1NTSR2
Analog Of Dynorphin A SCHEMBL29389694	0.99	OPRD1 (0.86)	OPRD1NTSR1OPRM1OPRK1NTSR2
SCHEMBL29648931	0.96	OPRD1 (0.90)	OPRD1NTSR1OPRM1OPRK1NTSR2
SCHEMBL31009049	0.96	OPRD1 (0.88)	OPRD1NTSR1OPRM1OPRK1NTSR2
SCHEMBL29386868	0.93	OPRD1 (0.82)	OPRD1NTSR1OPRM1OPRK1
SCHEMBL31197421	0.91	OPRD1 (0.77)	OPRD1NTSR1OPRM1OPRK1NTSR2
SCHEMBL11191224	0.91	OPRD1 (0.75)	OPRD1NTSR1OPRM1OPRK1NTSR2
Analog Of Dynorphin A SCHEMBL27861937	0.91	OPRD1 (0.75)	OPRD1NTSR1OPRM1OPRK1NTSR2
Dynorphin A (1-17) SCHEMBL29599476	0.88	OPRD1 (0.70)	OPRD1NTSR1OPRM1OPRK1NTSR2
Dynorphin A (1-17) SCHEMBL29358748	0.88	OPRD1 (0.70)	OPRD1NTSR1OPRM1OPRK1NTSR2

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
WO-2022198129-A1	USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE	BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US)	2022-09-22	—	—	WO	disclosed