SCHEMBL30495622

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.57

▸	OPRD1	P41143	4/20	0.57

▸	CALCRL	Q16602	5/20	0.56

▸	KEAP1	Q14145	1/20	0.54

▸	RAMP1	O60894	1/20	0.53

▸	RAMP3	O60896	3/20	0.53

▸	CALCR	P30988	3/20	0.53

▸	BDKRB2	P30411	1/20	0.52

▸	C5AR1	P21730	1/20	0.52

▸	SLC6A2	P23975	1/20	0.52

▸	F2	P00734	2/20	0.51

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
SCHEMBL31281428	0.92	OPRM1 (0.60)	OPRM1OPRD1CALCRLKEAP1BDKRB2
SCHEMBL30906344	0.89	KEAP1 (0.59)	KEAP1CALCR
SCHEMBL30906484	0.88	TFPI (0.59)	OPRM1OPRD1CALCR
SCHEMBL31241527	0.88	OPRM1 (0.64)	OPRM1OPRD1BDKRB2F2
SCHEMBL30906362	0.87	KEAP1 (0.57)	OPRM1OPRD1KEAP1CALCRF2
SCHEMBL29599109	0.87	CALCR (0.54)	CALCRLRAMP3CALCRF2
SCHEMBL31281288	0.87	MAPK8 (0.60)	RAMP3CALCR
SCHEMBL30607374	0.87	CALCR (0.58)	OPRM1OPRD1RAMP3CALCR
SCHEMBL30607393	0.86	CALCRL (0.59)	OPRM1OPRD1CALCRLKEAP1RAMP1
SCHEMBL30429118	0.86	NTSR1 (0.56)	OPRM1OPRD1KEAP1RAMP3CALCR

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