SCHEMBL30495600

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.61

▸	C5AR1	P21730	1/20	0.57

▸	F2	P00734	4/20	0.56

▸	GLP1R	P43220	3/20	0.54

▸	GCGR	P47871	3/20	0.54

▸	NMUR2	Q9GZQ4	2/20	0.53

▸	NMUR1	Q9HB89	2/20	0.53

▸	TFPI	P10646	1/20	0.53

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
SCHEMBL29736287	0.88	APLNR (0.56)	APLNRC5AR1
SCHEMBL31694509	0.87	C5AR1 (0.73)	C5AR1GLP1RGCGR
SCHEMBL31182477	0.87	APLNR (0.64)	APLNRC5AR1F2TFPI
SCHEMBL30176412	0.86	MC4R (0.63)	APLNRF2NMUR2NMUR1TFPI
SCHEMBL31598487	0.86	OPRM1 (0.60)	APLNRC5AR1F2NMUR2NMUR1
SCHEMBL31598478	0.86	OPRM1 (0.60)	APLNRC5AR1F2NMUR2NMUR1
SCHEMBL29569452	0.86	C5AR1 (0.57)	APLNRC5AR1
SCHEMBL30058340	0.86	F2 (0.63)	APLNRC5AR1F2GLP1RGCGR
SCHEMBL30974454	0.85	MC4R (0.55)	APLNRC5AR1GLP1RGCGR
SCHEMBL30033780	0.85	C5AR1 (0.55)	APLNRC5AR1GLP1RGCGR

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