SCHEMBL30444297

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

nearest known ligand 0.61

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	3/20	0.61

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	OPRK1	P41145	2/20	0.57

▸	NMUR2	Q9GZQ4	1/20	0.54

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
SCHEMBL30444185	0.95	CALCRL (0.57)	CALCRLOPRM1OPRD1OPRK1
SCHEMBL30658583	0.90	F2 (0.58)	CALCRLOPRM1OPRD1OPRK1
SCHEMBL30444466	0.89	NMUR2 (0.59)	CALCRLNMUR2
SCHEMBL30987365	0.86	NMUR2 (0.57)	CALCRLOPRM1OPRD1OPRK1NMUR2
SCHEMBL30512639	0.85	CALCRL (0.59)	CALCRL
SCHEMBL30444233	0.84	SLC6A2 (0.57)	OPRM1OPRD1NMUR2
SCHEMBL30456567	0.83	OPRM1 (0.54)	CALCRLOPRM1OPRD1OPRK1
SCHEMBL30443912	0.83	CALCRL (0.48)	CALCRLNMUR2
SCHEMBL24505692	0.82	ACE (0.55)	OPRM1OPRD1OPRK1
SCHEMBL30443935	0.82	CALCRL (0.46)	CALCRLOPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11833185-B2	Anti-neurodegenerative therapeutic, method of manufacture, and use	UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US)	2023-12-05	—	—	US	disclosed
EP-3664831-B1	ANTI-NEURODEGENERATIVE THERAPEUTIC AND USE	UNIV KENTUCKY RES FOUND (US)	2023-06-14	—	—	EP	disclosed