SCHEMBL30415450

CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	3/20	0.60

▸	CALCR	P30988	3/20	0.57

▸	TFPI	P10646	4/20	0.57

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	2/20	0.56

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	0.56

▸	EPHA2	P29317	1/20	0.55

▸	MC4R	P32245	1/20	0.55

▸	MC5R	P33032	1/20	0.55

▸	MC3R	P41968	1/20	0.55

▸	MC1R	Q01726	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
SCHEMBL30415378	0.96	TFPI (0.59)	CXCR4TFPINMUR2NMUR1NPY2R
SCHEMBL30415136	0.93	NPY2R (0.61)	CXCR4CALCRTFPINPY2RNPY4R
SCHEMBL30432190	0.90	CALCR (0.68)	CXCR4CALCRTFPINPY2RNPY4R
SCHEMBL30186436	0.90	CXCR4 (0.58)	CXCR4CALCRTFPINMUR2NMUR1
SCHEMBL30556351	0.89	NMUR2 (0.60)	CXCR4TFPINMUR2NMUR1EPHA2
SCHEMBL30186407	0.89	EPHA2 (0.58)	CXCR4CALCRTFPINMUR2NMUR1
SCHEMBL31119895	0.89	NMUR2 (0.60)	CXCR4TFPINMUR2NMUR1EPHA2
SCHEMBL29523674	0.89	CALCR (0.70)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL30435943	0.89	NPY2R (0.65)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29973144	0.88	NPY2R (0.57)	CXCR4TFPINPY2RNPY4RNPY5R

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