SCHEMBL30415361

CC(C)[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](C)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(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.65

▸	TFPI	P10646	5/20	0.63

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	C5AR1	P21730	1/20	0.58

▸	RAMP3	O60896	1/20	0.58

▸	CALCR	P30988	1/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.58

▸	NMUR1	Q9HB89	1/20	0.58

▸	KDM1A	O60341	1/20	0.56

▸	CXCR4	P61073	1/20	0.56

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
SCHEMBL30415150	0.98	EPHA2 (0.62)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL30415381	0.97	EPHA2 (0.65)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL30415710	0.97	EPHA2 (0.65)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL30186412	0.97	EPHA2 (0.65)	EPHA2TFPINPY2RNPY4RNPY5R
Rusalatide SCHEMBL29392126	0.95	EPHA2 (0.62)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL29390108	0.95	EPHA2 (0.62)	EPHA2TFPINPY2RNPY4RNPY5R
Rusalatide SCHEMBL29357268	0.94	TFPI (0.62)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL31473050	0.94	CXCR4 (0.61)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL29392765	0.91	EPHA2 (0.57)	EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL30607473	0.90	NPY2R (0.63)	EPHA2TFPINPY2RNPY4RNPY5R

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