SCHEMBL30415354

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(N)=O

nearest known ligand 0.74

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.67

▸	GLP1R	P43220	6/20	0.65

▸	GCGR	P47871	3/20	0.65

▸	MC4R	P32245	1/20	0.65

▸	MC5R	P33032	1/20	0.65

▸	MC3R	P41968	1/20	0.65

▸	MC1R	Q01726	1/20	0.65

▸	IL23R	Q5VWK5	1/20	0.64

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

▸	CALCA	P06881	1/20	0.62

▸	C5AR1	P21730	1/20	0.61

▸	CXCL8	P10145	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
SCHEMBL30415751	0.98	NPY1R (0.66)	CXCR4GLP1RGCGRMC4RMC5R
SCHEMBL30495708	0.91	CXCR4 (0.71)	CXCR4GLP1RGCGRNPY1RNPY2R
SCHEMBL31067646	0.90	NPY1R (0.68)	CXCR4GLP1RGCGRMC4RMC5R
SCHEMBL30415136	0.90	NPY2R (0.61)	CXCR4GLP1RGCGRNPY1RNPY2R
Rusalatide SCHEMBL29392126	0.88	EPHA2 (0.62)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30578730	0.88	NPY1R (0.70)	CXCR4GLP1RGCGRNPY1RNPY2R
SCHEMBL31182666	0.88	CXCR4 (0.68)	CXCR4GLP1RGCGRMC4RMC5R
Rusalatide SCHEMBL29357268	0.88	TFPI (0.62)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30415150	0.88	EPHA2 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182642	0.88	NPY1R (0.73)	CXCR4GLP1RGCGRNPY1RNPY2R

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