SCHEMBL30262122

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

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.55

▸	OPRD1	P41143	4/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	TFPI	P10646	1/20	0.52

▸	APC	P25054	3/20	0.52

▸	NPY1R	P25929	2/20	0.51

▸	NPY2R	P49146	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

▸	KEAP1	Q14145	1/20	0.50

▸	NPY5R	Q15761	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
SCHEMBL31614444	0.89	OPRD1 (0.56)	OPRM1OPRD1OPRK1TFPIAPC
SCHEMBL30612509	0.89	OPRM1 (0.59)	OPRM1OPRD1OPRK1TFPIAPC
SCHEMBL31614415	0.88	OPRD1 (0.55)	OPRM1OPRD1OPRK1TFPIAPC
SCHEMBL31614421	0.88	OPRD1 (0.57)	OPRM1OPRD1OPRK1NPY1RNPY2R
SCHEMBL29353451	0.87	FOLH1 (0.44)	OPRM1OPRD1OPRK1TFPIKEAP1
SCHEMBL29451124	0.87	OPRM1 (0.61)	OPRM1OPRD1OPRK1TFPIAPC
SCHEMBL31614449	0.87	OPRD1 (0.53)	OPRM1OPRD1OPRK1TFPIAPC
SCHEMBL29591874	0.86	NPY1R (0.55)	OPRM1OPRD1OPRK1NPY1RNPY2R
SCHEMBL31257049	0.86	NPY4R (0.59)	OPRM1OPRD1OPRK1NPY1RNPY2R
SCHEMBL29822708	0.86	OPRM1 (0.63)	OPRM1OPRD1OPRK1TFPIKEAP1

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed