SCHEMBL31154481

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	9/20	0.67

▸	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

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	CTSL	P07711	2/20	0.57

▸	CTSS	P25774	2/20	0.57

▸	CTSK	P43235	2/20	0.57

▸	RAMP3	O60896	5/20	0.57

▸	CALCR	P30988	5/20	0.57

▸	CTSH	P09668	1/20	0.57

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
SCHEMBL31182930	0.89	CXCR4 (0.62)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31154425	0.89	CXCR4 (0.65)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31182712	0.89	NPY2R (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31073511	0.88	CXCR4 (0.61)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29436331	0.88	IL23R (0.70)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31020887	0.88	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29672871	0.87	IL23R (0.70)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL29410243	0.87	CXCR4 (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL38661970	0.87	IL23R (0.67)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31182831	0.87	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R

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