SCHEMBL29973459

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	1/20	0.63

▸	NTSR2	O95665	1/20	0.63

▸	NTSR1	P30989	1/20	0.63

▸	SORT1	Q99523	1/20	0.63

▸	CXCR4	P61073	9/20	0.61

▸	KISS1R	Q969F8	4/20	0.60

▸	C5AR1	P21730	1/20	0.59

▸	IL23R	Q5VWK5	1/20	0.57

▸	OPRM1	P35372	2/20	0.56

▸	OPRK1	P41145	2/20	0.56

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	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
SCHEMBL29761931	0.97	TACR1 (0.66)	TACR1NTSR2NTSR1SORT1CXCR4
SCHEMBL3420841	0.97	TACR1 (0.66)	TACR1NTSR2NTSR1SORT1CXCR4
SCHEMBL34470399	0.93	NTSR2 (0.66)	TACR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29973266	0.93	TACR1 (0.70)	TACR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29973465	0.92	TACR1 (0.59)	TACR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29697181	0.92	CXCR4 (0.66)	NTSR2NTSR1SORT1CXCR4KISS1R
SCHEMBL30945042	0.91	CXCR4 (0.66)	NTSR2NTSR1SORT1CXCR4KISS1R
SCHEMBL30293938	0.90	TACR1 (0.65)	TACR1CXCR4KISS1RC5AR1IL23R
SCHEMBL30867019	0.90	CXCR4 (0.61)	NTSR2NTSR1SORT1CXCR4KISS1R
SCHEMBL31452905	0.89	CXCR4 (0.62)	NTSR2NTSR1SORT1CXCR4KISS1R

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