SCHEMBL29390108

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](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](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.62

▸	TFPI	P10646	4/20	0.61

▸	CXCR4	P61073	2/20	0.60

▸	C5AR1	P21730	1/20	0.58

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	IL23R	Q5VWK5	1/20	0.56

▸	MC4R	P32245	1/20	0.56

▸	MC5R	P33032	1/20	0.56

▸	MC3R	P41968	1/20	0.56

▸	MC1R	Q01726	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
SCHEMBL30186412	0.98	EPHA2 (0.65)	EPHA2TFPIC5AR1NPY2RNPY4R
SCHEMBL30415150	0.97	EPHA2 (0.62)	EPHA2TFPICXCR4C5AR1NPY2R
SCHEMBL30415361	0.95	EPHA2 (0.65)	EPHA2TFPICXCR4C5AR1NPY2R
Rusalatide SCHEMBL29357268	0.94	TFPI (0.62)	EPHA2TFPICXCR4NPY2RNPY4R
Rusalatide SCHEMBL29392126	0.94	EPHA2 (0.62)	EPHA2TFPICXCR4NPY2RNPY4R
SCHEMBL29392765	0.94	EPHA2 (0.57)	EPHA2TFPICXCR4C5AR1NPY2R
SCHEMBL31473050	0.93	CXCR4 (0.61)	EPHA2TFPICXCR4NPY2RNPY4R
SCHEMBL29389698	0.93	EPHA2 (0.56)	EPHA2TFPICXCR4C5AR1NPY2R
SCHEMBL30415710	0.92	EPHA2 (0.65)	EPHA2TFPIC5AR1NPY2RNPY4R
SCHEMBL30415381	0.92	EPHA2 (0.65)	EPHA2TFPIC5AR1NPY2RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3952991-A1	RUSALATIDE ACETATE COMPOSITIONS	Affirmed Pharma, LLC (US)	2022-02-16	—	—	EP	claimed
EP-3952991-A1	RUSALATIDE ACETATE COMPOSITIONS	Affirmed Pharma, LLC (US)	2022-02-16	—	—	EP	disclosed