SCHEMBL30598998

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](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.58

▸	KISS1R	Q969F8	3/20	0.55

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

▸	CALCRL	Q16602	1/20	0.55

▸	SLC6A2	P23975	1/20	0.54

▸	CXCL8	P10145	1/20	0.54

▸	GLP1R	P43220	6/20	0.54

▸	GIPR	P48546	6/20	0.54

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
SCHEMBL30598997	0.92	IL23R (0.62)	C5AR1IL23RKISS1RNPY1RNPY2R
SCHEMBL30600981	0.88	NPY1R (0.60)	C5AR1KISS1RNPY1RNPY2RNPY4R
SCHEMBL30424301	0.88	SLC6A2 (0.63)	KISS1RCALCRLSLC6A2CXCL8
SCHEMBL30537464	0.87	KISS1R (0.61)	KISS1RSLC6A2CXCL8
SCHEMBL30812405	0.87	IL23R (0.62)	C5AR1IL23RKISS1RNPY1RNPY2R
SCHEMBL29440225	0.87	TACR1 (0.59)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30888410	0.86	KISS1R (0.60)	IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL30507888	0.85	DPP3 (0.57)	IL23RKISS1RCALCRL
SCHEMBL29679507	0.85	SLC6A2 (0.61)	CALCRLSLC6A2
SCHEMBL5710723	0.85	CXCR4 (0.66)	C5AR1IL23RKISS1RNPY1RNPY2R

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