SCHEMBL29812904

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

nearest known ligand 0.69

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	CXCR4	P61073	3/20	0.67

▸	GLP1R	P43220	11/20	0.65

▸	CCKBR	P32239	2/20	0.64

▸	GCGR	P47871	1/20	0.64

▸	GIPR	P48546	1/20	0.64

▸	CALCA	P06881	2/20	0.64

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
SCHEMBL29706113	0.99	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29812652	0.97	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29812657	0.97	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29706357	0.97	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29812820	0.96	CXCR4 (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29812760	0.96	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29706348	0.96	CXCR4 (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29706302	0.96	CXCR4 (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29706164	0.95	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29706413	0.94	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4

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
WO-2022111713-A1	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2022-06-02	—	—	WO	disclosed