SCHEMBL30242907

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

nearest known ligand 0.69

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	7/20	0.62

▸	OPRM1	P35372	3/20	0.58

▸	OPRD1	P41143	3/20	0.58

▸	OPRK1	P41145	1/20	0.58

▸	TFPI	P10646	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
SCHEMBL30242913	0.95	KISS1R (0.61)	KISS1ROPRM1OPRD1OPRK1TFPI
SCHEMBL30712895	0.88	OPRM1 (0.60)	KISS1ROPRM1OPRD1OPRK1
SCHEMBL29689231	0.88	BACE1 (0.55)	KISS1ROPRM1OPRD1OPRK1
SCHEMBL30242956	0.88	BACE1 (0.60)	OPRM1OPRD1OPRK1
SCHEMBL31307279	0.87	BACE1 (0.52)	KISS1ROPRM1OPRD1OPRK1
SCHEMBL30512615	0.87	BACE1 (0.59)	KISS1ROPRM1OPRD1TFPI
SCHEMBL30633108	0.86	KISS1R (0.61)	KISS1ROPRM1OPRD1OPRK1TFPI
SCHEMBL29822708	0.85	OPRM1 (0.63)	KISS1ROPRM1OPRD1OPRK1TFPI
SCHEMBL29451124	0.84	OPRM1 (0.61)	KISS1ROPRM1OPRD1OPRK1TFPI
SCHEMBL30816279	0.83	OPRD1 (0.49)	KISS1ROPRM1OPRD1OPRK1

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
WO-2023018782-A1	METHODS TO DETERMINE CD4+ MEMORY T CELL RESPONSES TO SARS-COV-2 INFECTION OR VACCINATION	ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US)	2023-02-16	—	—	WO	disclosed