SCHEMBL30775448

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	4/20	0.68

▸	MC4R	P32245	2/20	0.68

▸	MC5R	P33032	2/20	0.68

▸	MC3R	P41968	2/20	0.68

▸	MC1R	Q01726	2/20	0.68

▸	KEAP1	Q14145	1/20	0.67

▸	RXFP1	Q9HBX9	1/20	0.66

▸	GLP1R	P43220	2/20	0.63

▸	PTH1R	Q03431	5/20	0.63

▸	CTSL	P07711	1/20	0.63

▸	CTSH	P09668	1/20	0.63

▸	CTSS	P25774	1/20	0.63

▸	CTSK	P43235	1/20	0.63

▸	CXCR4	P61073	1/20	0.63

▸	KISS1R	Q969F8	2/20	0.62

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
SCHEMBL30775451	0.98	MC4R (0.67)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL29545955	0.94	KEAP1 (0.69)	MC4RMC5RMC3RMC1RKEAP1
SCHEMBL30006939	0.94	KEAP1 (0.70)	MC4RMC5RMC3RMC1RKEAP1
SCHEMBL30887976	0.93	KEAP1 (0.69)	IL23RMC4RMC5RMC3RMC1R
SCHEMBL30589447	0.90	CXCR4 (0.68)	IL23RKEAP1GLP1RCXCR4
SCHEMBL30495698	0.89	GLP1R (0.66)	KEAP1RXFP1GLP1RPTH1RCXCR4
SCHEMBL30432613	0.88	NPY1R (0.69)	MC4RMC5RMC3RMC1RKEAP1
SCHEMBL29874649	0.88	MC4R (0.69)	IL23RMC4RMC5RMC3RMC1R
Dynorphin A (1-17) SCHEMBL31331988	0.88	NPY1R (0.68)	IL23RKEAP1GLP1RCXCR4
Dynorphin A (1-17) SCHEMBL30248363	0.88	NPY1R (0.68)	IL23RKEAP1GLP1RCXCR4

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-117582378-A	Peptide compositions for protecting and maintaining mitochondria and their functions	主流源生物科技(上海)有限公司	2024-02-23	—	—	CN	claimed