SCHEMBL30359272

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	7/20	0.62

▸	OPRK1	P41145	7/20	0.62

▸	TFPI	P10646	4/20	0.59

▸	APLNR	P35414	3/20	0.58

▸	NMUR2	Q9GZQ4	3/20	0.57

▸	NMUR1	Q9HB89	3/20	0.57

▸	KDM1A	O60341	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
SCHEMBL30359266	0.92	APLNR (0.64)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL30359268	0.92	APLNR (0.64)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL30359269	0.92	APLNR (0.64)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL30359271	0.92	APLNR (0.64)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL19706377	0.87	APLNR (0.65)	TFPIAPLNRNMUR2NMUR1
SCHEMBL30359263	0.87	APLNR (0.58)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL29416002	0.85	NMUR2 (0.65)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL30527874	0.85	NMUR2 (0.65)	OPRM1OPRK1TFPIAPLNRNMUR2
SCHEMBL29973451	0.85	NMUR2 (0.60)	OPRM1OPRK1NMUR2NMUR1
SCHEMBL30402818	0.84	NMUR2 (0.66)	OPRM1NMUR2NMUR1KDM1A

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-3237435-B1	METABOLICALLY STABLE APELIN ANALOGS IN THE TREATMENT OF DISEASE MEDIATED BY THE APELIN RECEPTOR	INST NAT SANTE RECH MED (FR)	2023-05-24	—	—	EP	disclosed