SCHEMBL30958093

CC(C)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	9/20	0.59

▸	C5AR1	P21730	1/20	0.53

▸	MC4R	P32245	1/20	0.53

▸	CXCR4	P61073	2/20	0.52

▸	PLK1	P53350	1/20	0.52

▸	OPRM1	P35372	2/20	0.49

▸	OPRK1	P41145	2/20	0.49

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
SCHEMBL30958077	0.93	APLNR (0.62)	APLNR
SCHEMBL30537453	0.89	CXCR4 (0.57)	APLNRC5AR1CXCR4OPRM1OPRK1
SCHEMBL31529690	0.89	APLNR (0.60)	APLNRC5AR1MC4RCXCR4
SCHEMBL30537456	0.89	APLNR (0.55)	APLNRC5AR1MC4RCXCR4OPRM1
SCHEMBL29607228	0.89	MC4R (0.55)	APLNRC5AR1MC4RCXCR4OPRM1
SCHEMBL29413125	0.88	APLNR (0.74)	APLNRC5AR1MC4R
SCHEMBL29607540	0.87	C5AR1 (0.56)	APLNRC5AR1MC4RCXCR4OPRM1
SCHEMBL29569355	0.87	C5AR1 (0.55)	APLNRC5AR1MC4RPLK1
SCHEMBL30958099	0.86	APLNR (0.47)	APLNRC5AR1MC4RCXCR4OPRK1
SCHEMBL30958088	0.86	APLNR (0.73)	APLNRC5AR1

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-3649146-B1	APELIN PEPTIDES AND USES THEREOF	UNIV ALBERTA (CA)	2024-06-26	—	—	EP	disclosed