SCHEMBL30495727

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.60

▸	OPRM1	P35372	3/20	0.57

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	TFPI	P10646	1/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	NTSR1	P30989	1/20	0.55

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
SCHEMBL31232439	0.89	OPRM1 (0.63)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30495628	0.89	OPRD1 (0.61)	OPRD1OPRM1OPRK1
SCHEMBL30974369	0.88	OPRD1 (0.62)	OPRD1OPRM1NPY2RNPY4RNPY5R
SCHEMBL30974098	0.86	NPY2R (0.57)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30415863	0.86	OPRD1 (0.61)	OPRD1OPRM1TFPIOPRK1
SCHEMBL30186405	0.85	OPRD1 (0.59)	OPRD1OPRM1NTSR1
SCHEMBL31005079	0.85	TFPI (0.67)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL31694487	0.85	KEAP1 (0.68)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30457049	0.85	OPRM1 (0.49)	OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL30560036	0.84	OPRD1 (0.60)	OPRD1OPRM1NTSR1

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