SCHEMBL30495598

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	2/20	0.49

▸	NMUR1	Q9HB89	2/20	0.49

▸	F2	P00734	1/20	0.49

▸	OPRD1	P41143	6/20	0.48

▸	OPRM1	P35372	8/20	0.47

▸	OPRK1	P41145	6/20	0.47

▸	CXCR4	P61073	1/20	0.47

▸	EPHA2	P29317	2/20	0.47

▸	APLNR	P35414	1/20	0.47

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
SCHEMBL30064441	0.88	F2 (0.41)	NMUR2NMUR1F2OPRD1OPRM1
SCHEMBL29777377	0.87	NMUR2 (0.56)	NMUR2NMUR1OPRM1OPRK1EPHA2
SCHEMBL31119607	0.85	IL23R (0.54)	NMUR2NMUR1F2APLNR
SCHEMBL30414371	0.85	OPRD1 (0.57)	NMUR2NMUR1OPRD1OPRM1EPHA2
SCHEMBL30011888	0.85	OPRM1 (0.55)	NMUR2NMUR1OPRM1OPRK1CXCR4
SCHEMBL30063854	0.84	EPHA2 (0.57)	NMUR2NMUR1EPHA2
SCHEMBL31119609	0.84	APLNR (0.55)	NMUR2NMUR1F2OPRM1OPRK1
SCHEMBL31052975	0.83	NMUR2 (0.58)	NMUR2NMUR1F2OPRD1OPRM1
SCHEMBL29871019	0.83	NMUR2 (0.58)	NMUR2NMUR1F2OPRD1OPRM1
SCHEMBL30003633	0.83	EPHA2 (0.59)	NMUR2NMUR1OPRD1OPRM1OPRK1

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