SCHEMBL30958047

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.93

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.79

▸	C5AR1	P21730	1/20	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
SCHEMBL30958075	1.00	APLNR (0.79)	APLNRC5AR1
SCHEMBL30958078	0.99	APLNR (0.77)	APLNR
SCHEMBL30958062	0.95	APLNR (0.71)	APLNRC5AR1
SCHEMBL30958050	0.95	APLNR (0.88)	APLNR
SCHEMBL30958088	0.94	APLNR (0.73)	APLNRC5AR1
SCHEMBL30958096	0.94	APLNR (0.86)	APLNR
SCHEMBL30958043	0.91	APLNR (0.69)	APLNR
SCHEMBL30958079	0.91	APLNR (0.69)	APLNR
SCHEMBL30958067	0.91	APLNR (0.69)	APLNR
SCHEMBL29669783	0.89	APLNR (0.78)	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 2 patents. 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	claimed
EP-3649146-B1	APELIN PEPTIDES AND USES THEREOF	UNIV ALBERTA (CA)	2024-06-26	—	—	EP	disclosed