SCHEMBL29973245

CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	15/20	0.56

▸	PRMT1	Q99873	1/20	0.56

▸	OPRM1	P35372	4/20	0.54

▸	OPRD1	P41143	4/20	0.54

▸	OPRK1	P41145	1/20	0.53

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
SCHEMBL38662564	0.88	ERAP2 (0.55)	KISS1R
SCHEMBL30198946	0.88	ERAP2 (0.58)	KISS1RPRMT1OPRM1OPRD1
Wtlnsagyll SCHEMBL29682704	0.87	OPRM1 (0.64)	KISS1ROPRM1OPRD1
SCHEMBL30544283	0.86	ECE1 (0.58)	OPRM1OPRD1
SCHEMBL29973046	0.86	KISS1R (0.62)	KISS1ROPRM1OPRD1
SCHEMBL30495788	0.85	KISS1R (0.60)	KISS1R
SCHEMBL30502993	0.85	CCKBR (0.58)	KISS1ROPRM1OPRD1
SCHEMBL11659111	0.85	CXCR4 (0.60)	PRMT1
SCHEMBL11659049	0.85	CXCR4 (0.60)	PRMT1
SCHEMBL31721010	0.85	OPRM1 (0.68)	PRMT1OPRM1OPRD1

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