SCHEMBL30158799

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

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.59

▸	OPRD1	P41143	4/20	0.59

▸	NMUR2	Q9GZQ4	5/20	0.56

▸	NMUR1	Q9HB89	5/20	0.56

▸	NTSR1	P30989	2/20	0.55

▸	BDKRB2	P30411	1/20	0.53

▸	APLNR	P35414	1/20	0.53

▸	KEAP1	Q14145	1/20	0.52

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
SCHEMBL30785950	0.95	OPRM1 (0.57)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL30159031	0.95	NMUR2 (0.57)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL30158741	0.92	APLNR (0.54)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL11289026	0.89	OPRD1 (0.58)	OPRM1OPRD1NMUR2NMUR1APLNR
SCHEMBL11289034	0.89	OPRD1 (0.58)	OPRM1OPRD1NMUR2NMUR1APLNR
SCHEMBL30429118	0.89	NTSR1 (0.56)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL29836800	0.89	SLC6A2 (0.56)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL30853585	0.88	NAA50 (0.48)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL31135242	0.87	F2 (0.58)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL31241527	0.87	OPRM1 (0.64)	OPRM1OPRD1NMUR2NMUR1BDKRB2

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
CN-113292642-B	Third-generation epidermal growth factor receptor inhibitor drug-resistant mutation neoantigen and application thereof	倍而达药业（苏州）有限公司	2023-02-28	—	—	CN	disclosed