SCHEMBL30958041

N=C(N)NCCC[C@H](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)O

nearest known ligand 0.63

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.60

▸	OPRM1	P35372	7/20	0.56

▸	OPRK1	P41145	7/20	0.56

▸	C5AR1	P21730	1/20	0.53

▸	TACR1	P25103	1/20	0.52

▸	NMUR2	Q9GZQ4	2/20	0.52

▸	NMUR1	Q9HB89	2/20	0.52

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
SCHEMBL29608732	0.95	F2 (0.60)	F2OPRM1OPRK1C5AR1
SCHEMBL17887920	0.95	F2 (0.60)	F2OPRM1OPRK1TACR1NMUR2
SCHEMBL30958051	0.93	OPRK1 (0.53)	F2OPRM1OPRK1TACR1
SCHEMBL30855542	0.92	NRP1 (0.49)	F2OPRM1OPRK1C5AR1NMUR2
SCHEMBL31399622	0.92	NRP1 (0.49)	F2OPRM1OPRK1C5AR1NMUR2
SCHEMBL29619342	0.92	NMUR2 (0.55)	F2OPRM1OPRK1NMUR2NMUR1
SCHEMBL17887894	0.91	F2 (0.59)	F2OPRM1OPRK1C5AR1NMUR2
SCHEMBL29679911	0.91	NMUR2 (0.61)	OPRM1OPRK1NMUR2NMUR1
SCHEMBL29680191	0.91	NMUR2 (0.61)	OPRM1OPRK1NMUR2NMUR1
SCHEMBL31316619	0.91	F2 (0.53)	F2OPRM1OPRK1NMUR2NMUR1

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