SCHEMBL31154425

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	12/20	0.65

▸	IL23R	Q5VWK5	1/20	0.62

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	C5AR1	P21730	1/20	0.59

▸	MC4R	P32245	2/20	0.56

▸	MC5R	P33032	2/20	0.56

▸	MC3R	P41968	2/20	0.56

▸	MC1R	Q01726	2/20	0.56

▸	CTSL	P07711	1/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CTSS	P25774	1/20	0.56

▸	CTSK	P43235	1/20	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
SCHEMBL30415481	0.91	CXCR4 (0.62)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30285072	0.90	CXCR4 (0.60)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30615288	0.89	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31154481	0.89	CXCR4 (0.67)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30284926	0.88	CXCR4 (0.59)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31457379	0.87	NPY2R (0.69)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31020887	0.87	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31182666	0.87	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31232547	0.87	C5AR1 (0.62)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29533141	0.86	CXCR4 (0.64)	CXCR4CTSLCTSHCTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118994312-A	Polypeptide of target HVEM protein	北京化工大学	2024-11-22	—	—	CN	claimed
CN-118994312-A	Polypeptide of target HVEM protein	北京化工大学	2024-11-22	—	—	CN	disclosed