SCHEMBL30359263

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)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(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.58

▸	OPRM1	P35372	9/20	0.57

▸	OPRK1	P41145	9/20	0.57

▸	TFPI	P10646	4/20	0.53

▸	NMUR2	Q9GZQ4	1/20	0.51

▸	NMUR1	Q9HB89	1/20	0.51

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
SCHEMBL30359271	0.96	APLNR (0.64)	APLNROPRM1OPRK1TFPINMUR2
SCHEMBL30359266	0.96	APLNR (0.64)	APLNROPRM1OPRK1TFPINMUR2
SCHEMBL30359268	0.96	APLNR (0.64)	APLNROPRM1OPRK1TFPINMUR2
SCHEMBL30359269	0.96	APLNR (0.64)	APLNROPRM1OPRK1TFPINMUR2
SCHEMBL19706377	0.91	APLNR (0.65)	APLNRTFPINMUR2NMUR1
SCHEMBL30359272	0.87	OPRM1 (0.62)	APLNROPRM1OPRK1TFPINMUR2
SCHEMBL30958088	0.84	APLNR (0.73)	APLNR
SCHEMBL30958067	0.83	APLNR (0.69)	APLNR
SCHEMBL30958079	0.83	APLNR (0.69)	APLNR
SCHEMBL30958078	0.83	APLNR (0.77)	APLNR

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