SCHEMBL30446021

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)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	APLNR	P35414	2/20	0.64

▸	GLP1R	P43220	4/20	0.62

▸	GCGR	P47871	3/20	0.62

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	TFPI	P10646	4/20	0.61

▸	KEAP1	Q14145	1/20	0.61

▸	F2	P00734	2/20	0.60

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
SCHEMBL30276691	0.98	CALCR (0.68)	CALCRAPLNRGLP1RGCGRCRHR1
SCHEMBL29446772	0.98	CALCR (0.67)	CALCRAPLNRGLP1RGCGRTFPI
SCHEMBL29963415	0.98	CALCR (0.67)	CALCRAPLNRGLP1RGCGRTFPI
SCHEMBL29446761	0.93	APLNR (0.62)	CALCRAPLNRGLP1RGCGRKEAP1
SCHEMBL31182915	0.92	CALCR (0.72)	CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL31182794	0.91	APLNR (0.64)	CALCRAPLNRGLP1RGCGRF2
SCHEMBL30524357	0.91	APLNR (0.67)	CALCRAPLNRGLP1RGCGRKEAP1
SCHEMBL30446808	0.91	APLNR (0.60)	CALCRAPLNRCRHR1CRHR2KEAP1
SCHEMBL30185050	0.90	APLNR (0.62)	CALCRAPLNRGLP1RGCGRKEAP1
SCHEMBL30358206	0.90	CALCR (0.70)	CALCRAPLNRGLP1RGCGRCRHR1

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