SCHEMBL29608128

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

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	1/20	0.57

▸	C5AR1	P21730	2/20	0.56

▸	APLNR	P35414	4/20	0.55

▸	OPRM1	P35372	6/20	0.53

▸	OPRK1	P41145	6/20	0.53

▸	MC4R	P32245	1/20	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
SCHEMBL29607774	0.96	APLNR (0.54)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29608108	0.95	APLNR (0.55)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29608840	0.94	C5AR1 (0.58)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29608843	0.94	C5AR1 (0.58)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29608384	0.93	APLNR (0.56)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29607109	0.93	APLNR (0.56)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29607540	0.93	C5AR1 (0.56)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29608111	0.93	APLNR (0.55)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29607152	0.93	APLNR (0.55)	CXCR4C5AR1APLNROPRM1OPRK1
SCHEMBL29607931	0.91	C5AR1 (0.55)	CXCR4C5AR1APLNROPRM1OPRK1

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
US-20220120732-A1	TREATMENT OF DISEASES WITH MULTIMERIC PEPTIDES	RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL)	2022-04-21	—	—	US	disclosed