SCHEMBL30186407

C[C@H](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)CN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.58

▸	CXCR4	P61073	2/20	0.57

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	TFPI	P10646	4/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	2/20	0.56

▸	RAMP3	O60896	1/20	0.55

▸	CALCR	P30988	1/20	0.55

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
SCHEMBL30186436	0.96	CXCR4 (0.58)	EPHA2CXCR4NPY2RNPY4RNPY5R
SCHEMBL29865057	0.91	OPRM1 (0.56)	EPHA2CXCR4NPY2RNPY4RNPY5R
SCHEMBL29865201	0.91	OPRM1 (0.56)	EPHA2CXCR4NPY2RNPY4RNPY5R
SCHEMBL30607473	0.90	NPY2R (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31473050	0.89	CXCR4 (0.61)	EPHA2CXCR4NPY2RNPY4RNPY5R
SCHEMBL30567748	0.89	NMUR2 (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31323240	0.89	EPHA2 (0.59)	EPHA2NMUR2NMUR1
SCHEMBL29865208	0.88	OPRM1 (0.58)	EPHA2CXCR4NPY2RNPY4RNPY5R
SCHEMBL29864890	0.88	OPRM1 (0.58)	EPHA2CXCR4NPY2RNPY4RNPY5R
SCHEMBL29864827	0.88	OPRM1 (0.58)	EPHA2CXCR4NPY2RNPY4RNPY5R

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
EP-4132948-A1	TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION	Chrysalis Biotherapeutics (US)	2023-02-15	—	—	EP	disclosed