SCHEMBL30887978

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C)C(C)C

nearest known ligand 0.73

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.61

▸	KEAP1	Q14145	1/20	0.59

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	TFPI	P10646	5/20	0.58

▸	PTH1R	Q03431	5/20	0.57

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

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
SCHEMBL31182691	0.89	NPY2R (0.62)	KDM1ATFPINPY1RNPY2RNPY4R
SCHEMBL30658336	0.89	KEAP1 (0.63)	KEAP1TFPIPTH1RNPY1RNPY2R
SCHEMBL30358175	0.89	CALCR (0.62)	KEAP1TFPINPY1RNPY2RNPY4R
SCHEMBL31182451	0.89	MAPK8 (0.63)	KDM1AKEAP1TFPINPY1RNPY2R
SCHEMBL31182587	0.89	NPY2R (0.66)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL31182551	0.88	CALCR (0.68)	NPY1RNPY2RNPY4RNPY5R
SCHEMBL29854460	0.88	NPY2R (0.68)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29706406	0.88	NPY2R (0.68)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29369173	0.88	NPY2R (0.68)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL31182963	0.87	TFPI (0.68)	TFPINPY1RNPY2RNPY4RNPY5R

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-117164668-B	Polypeptide compound, composition and use thereof	青岛双元泰和药业有限公司	2024-05-10	—	—	CN	disclosed