SCHEMBL30598997

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	1/20	0.62

▸	C5AR1	P21730	2/20	0.61

▸	KISS1R	Q969F8	5/20	0.60

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	CXCL8	P10145	5/20	0.57

▸	MC4R	P32245	2/20	0.57

▸	MC5R	P33032	2/20	0.57

▸	MC3R	P41968	2/20	0.57

▸	MC1R	Q01726	2/20	0.57

▸	EPHA2	P29317	2/20	0.56

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
SCHEMBL30598998	0.92	C5AR1 (0.58)	IL23RC5AR1KISS1RNPY1RNPY2R
SCHEMBL31488939	0.90	KISS1R (0.63)	IL23RC5AR1KISS1RNPY1RNPY2R
SCHEMBL31729497	0.89	SLC6A2 (0.62)	IL23RC5AR1KISS1REPHA2
SCHEMBL38663455	0.89	C5AR1 (0.63)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL34470137	0.89	KISS1R (0.67)	IL23RC5AR1KISS1RNPY1RNPY2R
SCHEMBL31430442	0.89	C5AR1 (0.62)	IL23RC5AR1KISS1RMC4RMC5R
SCHEMBL29552852	0.89	KISS1R (0.68)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31307225	0.89	IL23R (0.65)	IL23RC5AR1KISS1RNPY1RNPY2R
SCHEMBL30423542	0.89	NPY1R (0.66)	C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL30804658	0.88	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5R

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-113929748-B	Kit for detecting BACE1 enzyme activity and application thereof	中国科学技术大学	2023-10-20	—	—	CN	disclosed