SCHEMBL29973185

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	14/20	0.60

▸	IL23R	Q5VWK5	2/20	0.59

▸	NPBWR1	P48145	2/20	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
SCHEMBL31710338	0.95	KISS1R (0.64)	KISS1RIL23RNPBWR1
SCHEMBL30558306	0.94	IL23R (0.65)	KISS1RIL23RNPBWR1
SCHEMBL30636161	0.94	NPBWR1 (0.58)	KISS1RNPBWR1
SCHEMBL29440486	0.94	NPBWR1 (0.58)	KISS1RNPBWR1
SCHEMBL29511101	0.92	KISS1R (0.58)	KISS1R
SCHEMBL30494124	0.92	KISS1R (0.56)	KISS1RIL23RNPBWR1
SCHEMBL31661149	0.92	GHSR (0.61)	—
SCHEMBL29510997	0.91	NPY1R (0.58)	KISS1R
SCHEMBL29576242	0.91	IL23R (0.59)	IL23RNPBWR1
SCHEMBL30029017	0.91	GHSR (0.59)	—

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