SCHEMBL29606988

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)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 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.51

▸	KDM1A	O60341	3/20	0.51

▸	APLNR	P35414	3/20	0.50

▸	REN	P00797	5/20	0.48

▸	GHSR	Q92847	2/20	0.47

▸	MAOB	P27338	1/20	0.47

▸	KDM5A	P29375	1/20	0.47

▸	KDM1B	Q8NB78	1/20	0.47

▸	OPRM1	P35372	2/20	0.47

▸	OPRK1	P41145	2/20	0.47

▸	CXCR4	P61073	1/20	0.47

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
SCHEMBL29608138	0.96	APLNR (0.49)	C5AR1KDM1AAPLNRRENOPRM1
SCHEMBL29607547	0.92	REN (0.53)	C5AR1KDM1AAPLNRRENMAOB
SCHEMBL29607540	0.91	C5AR1 (0.56)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29608843	0.91	C5AR1 (0.58)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29608840	0.91	C5AR1 (0.58)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29607022	0.90	KDM1A (0.52)	C5AR1KDM1AAPLNRRENMAOB
SCHEMBL30788334	0.89	KDM1A (0.51)	C5AR1KDM1AAPLNRGHSRMAOB
SCHEMBL29608128	0.89	CXCR4 (0.57)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29607931	0.87	C5AR1 (0.55)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29607221	0.87	C5AR1 (0.53)	C5AR1APLNROPRM1OPRK1CXCR4

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