SCHEMBL30673321

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

nearest known ligand 0.60

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.60

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	CXCL8	P10145	6/20	0.59

▸	C5AR1	P21730	1/20	0.57

▸	KISS1R	Q969F8	3/20	0.56

▸	IL23R	Q5VWK5	1/20	0.55

▸	CTSL	P07711	2/20	0.55

▸	CTSS	P25774	2/20	0.55

▸	CTSK	P43235	2/20	0.55

▸	MC4R	P32245	2/20	0.55

▸	MC5R	P33032	2/20	0.55

▸	MC3R	P41968	2/20	0.55

▸	MC1R	Q01726	2/20	0.55

▸	CTSH	P09668	1/20	0.55

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
SCHEMBL30398408	0.91	NPY1R (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31307225	0.89	IL23R (0.65)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL29754415	0.89	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31410855	0.88	KISS1R (0.65)	NPY1RNPY2RNPY4RNPY5RCXCL8
SCHEMBL29351200	0.88	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29578881	0.88	NPY2R (0.73)	CXCR4NPY1RNPY2RNPY4RNPY5R
Nerofe SCHEMBL31146290	0.87	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
Nerofe SCHEMBL29534410	0.87	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31146211	0.87	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL16566036	0.87	CXCR4 (0.57)	CXCR4NPY1RNPY2RNPY4RNPY5R

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-117088942-A	Polypeptide compound for improving liver fibrosis and application thereof	中山大学	2023-11-21	—	—	CN	disclosed