SCHEMBL29973299

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	5/20	0.66

▸	NPY2R	P49146	7/20	0.65

▸	NPY4R	P50391	7/20	0.65

▸	NPY5R	Q15761	7/20	0.65

▸	NPY1R	P25929	5/20	0.65

▸	CXCR4	P61073	2/20	0.64

▸	EPHA2	P29317	2/20	0.63

▸	KDM1A	O60341	1/20	0.62

▸	RAMP3	O60896	1/20	0.61

▸	CALCR	P30988	1/20	0.61

▸	NMUR2	Q9GZQ4	1/20	0.61

▸	NMUR1	Q9HB89	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
SCHEMBL29629341	0.99	TFPI (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29424820	0.99	TFPI (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29533701	0.99	TFPI (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29625796	0.93	KDM1A (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31121841	0.92	NMUR2 (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29625797	0.92	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30017187	0.91	NPY2R (0.64)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30401038	0.91	NPY2R (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29625798	0.90	TFPI (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31182841	0.90	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R

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-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed