SCHEMBL30446656

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

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.48

▸	OPRD1	P41143	4/20	0.48

▸	NAA50	Q9GZZ1	1/20	0.47

▸	CAPN1	P07384	2/20	0.46

▸	NMUR2	Q9GZQ4	4/20	0.46

▸	NMUR1	Q9HB89	4/20	0.46

▸	RAMP3	O60896	5/20	0.44

▸	CALCR	P30988	5/20	0.44

▸	NTSR1	P30989	1/20	0.43

▸	APLNR	P35414	1/20	0.43

▸	CXCL8	P10145	1/20	0.43

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
SCHEMBL30853585	0.90	NAA50 (0.48)	OPRM1OPRD1NAA50CAPN1NMUR2
SCHEMBL30495744	0.85	CALCR (0.51)	RAMP3CALCRNTSR1
SCHEMBL5495351	0.85	NAA50 (0.54)	NAA50NMUR2NMUR1RAMP3CALCR
SCHEMBL30420933	0.84	CAPN1 (0.48)	OPRM1OPRD1CAPN1NMUR2NMUR1
SCHEMBL30420836	0.84	NAA50 (0.50)	OPRM1OPRD1NAA50RAMP3CALCR
SCHEMBL30007823	0.84	CAPN1 (0.43)	OPRM1OPRD1NAA50CAPN1NTSR1
SCHEMBL30419465	0.84	NAA50 (0.53)	NAA50NMUR2NMUR1RAMP3CALCR
SCHEMBL30158799	0.83	OPRM1 (0.59)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL30785950	0.83	OPRM1 (0.57)	OPRM1OPRD1NMUR2NMUR1NTSR1
SCHEMBL31409133	0.83	CAPN1 (0.53)	CAPN1NMUR2NMUR1NTSR1

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-20230181696-A1	POLYPEPTIDE DRUG FOR PREVENTING AND/OR TREATING NEUROBLASTOMA AND USE THEREOF	Zhuhai Tengbai Pharmaceutical Co., Ltd. (CN)	2023-06-15	—	—	US	disclosed