SCHEMBL30415751

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	GLP1R	P43220	5/20	0.65

▸	GCGR	P47871	3/20	0.65

▸	CXCR4	P61073	3/20	0.65

▸	MC4R	P32245	1/20	0.64

▸	MC5R	P33032	1/20	0.64

▸	MC3R	P41968	1/20	0.64

▸	MC1R	Q01726	1/20	0.64

▸	C5AR1	P21730	1/20	0.63

▸	IL23R	Q5VWK5	1/20	0.62

▸	CXCL8	P10145	6/20	0.62

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
SCHEMBL30415354	0.98	CXCR4 (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30415136	0.92	NPY2R (0.61)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31067646	0.92	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495708	0.91	CXCR4 (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182642	0.90	NPY1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30578730	0.89	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182666	0.89	CXCR4 (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31232412	0.89	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30640750	0.88	CXCR4 (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30415150	0.88	EPHA2 (0.62)	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
US-20230165943-A1	TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION	CHRYSALIS BIOTHERAPEUTICS, INC.	2023-06-01	—	—	US	disclosed