SCHEMBL30446808

CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)I)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.60

▸	CALCR	P30988	3/20	0.57

▸	C5AR1	P21730	1/20	0.57

▸	CTSL	P07711	3/20	0.57

▸	CTSS	P25774	3/20	0.57

▸	CTSK	P43235	3/20	0.57

▸	CTSH	P09668	1/20	0.57

▸	MC4R	P32245	1/20	0.55

▸	MC5R	P33032	1/20	0.55

▸	MC3R	P41968	1/20	0.55

▸	MC1R	Q01726	1/20	0.55

▸	F2	P00734	4/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

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
SCHEMBL29446761	0.96	APLNR (0.62)	APLNRCALCRC5AR1CTSLCTSS
SCHEMBL30446021	0.91	CALCR (0.68)	APLNRCALCRF2KEAP1CRHR1
SCHEMBL30276691	0.90	CALCR (0.68)	APLNRCALCRF2KEAP1CRHR1
SCHEMBL29446772	0.89	CALCR (0.67)	APLNRCALCRC5AR1F2KEAP1
SCHEMBL29963415	0.89	CALCR (0.67)	APLNRCALCRC5AR1F2KEAP1
SCHEMBL30495821	0.87	APLNR (0.61)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL30437391	0.86	APLNR (0.67)	APLNRCALCRC5AR1MC4RMC5R
SCHEMBL31182794	0.85	APLNR (0.64)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL30607275	0.84	CALCR (0.62)	APLNRCALCRC5AR1F2KEAP1
SCHEMBL31182945	0.84	CALCR (0.68)	APLNRCALCRF2KEAP1CRHR1

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