SCHEMBL30485540

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	CXCR4	P61073	4/20	0.67

▸	GLP1R	P43220	8/20	0.63

▸	CCKBR	P32239	2/20	0.63

▸	CALCA	P06881	2/20	0.62

▸	IL23R	Q5VWK5	1/20	0.61

▸	CALCR	P30988	1/20	0.61

▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

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
SCHEMBL30485538	0.94	CXCR4 (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30906424	0.93	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182522	0.91	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30767174	0.90	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30767155	0.90	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30831408	0.90	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182921	0.90	NPY2R (0.76)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31000928	0.90	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658240	0.90	NPY2R (0.74)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29851285	0.90	CXCR4 (0.64)	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
CN-109912709-B	Preparation method of acid-sensitive ion channel inhibitor	北京大学深圳研究生院	2023-07-14	—	—	CN	claimed