SCHEMBL30495830

NC(=O)CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.60

▸	OPRD1	P41143	4/20	0.60

▸	NMUR2	Q9GZQ4	4/20	0.54

▸	NMUR1	Q9HB89	4/20	0.54

▸	KDM1A	O60341	3/20	0.51

▸	F2	P00734	4/20	0.50

▸	NTSR1	P30989	1/20	0.49

▸	MAOB	P27338	1/20	0.49

▸	KDM5A	P29375	1/20	0.49

▸	KDM1B	Q8NB78	1/20	0.49

▸	RAMP3	O60896	1/20	0.49

▸	CALCR	P30988	1/20	0.49

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
SCHEMBL30854856	0.90	OPRM1 (0.60)	OPRM1OPRD1NMUR2NMUR1KDM1A
SCHEMBL29590524	0.85	OPRM1 (0.45)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL30211654	0.85	OPRM1 (0.46)	OPRM1OPRD1NMUR2NMUR1KDM1A
SCHEMBL30495669	0.84	OPRD1 (0.64)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL6519003	0.84	KDM1A (0.50)	NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL22018360	0.84	NMUR2 (0.50)	OPRM1OPRD1NMUR2NMUR1KDM1A
SCHEMBL13599743	0.83	KDM1A (0.55)	NMUR2NMUR1KDM1ANTSR1MAOB
SCHEMBL31241527	0.83	OPRM1 (0.64)	OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL29939823	0.83	OPRM1 (0.63)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL29592515	0.83	OPRM1 (0.59)	OPRM1OPRD1

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed