SCHEMBL29607221

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)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)O

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.53

▸	APLNR	P35414	4/20	0.50

▸	OPRM1	P35372	6/20	0.49

▸	OPRK1	P41145	6/20	0.49

▸	F2	P00734	1/20	0.47

▸	CXCR4	P61073	1/20	0.47

▸	CTSL	P07711	2/20	0.47

▸	CTSS	P25774	2/20	0.47

▸	CTSK	P43235	2/20	0.47

▸	CTSH	P09668	1/20	0.47

▸	MC4R	P32245	1/20	0.46

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
SCHEMBL29607931	0.97	C5AR1 (0.55)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29607540	0.96	C5AR1 (0.56)	C5AR1APLNROPRM1OPRK1F2
SCHEMBL29608843	0.94	C5AR1 (0.58)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29608840	0.94	C5AR1 (0.58)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL30537456	0.93	APLNR (0.55)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29607774	0.93	APLNR (0.54)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL29608108	0.92	APLNR (0.55)	C5AR1APLNROPRM1OPRK1CXCR4
SCHEMBL31683847	0.92	C5AR1 (0.44)	C5AR1APLNROPRM1F2CTSL
SCHEMBL29608138	0.91	APLNR (0.49)	C5AR1APLNROPRM1OPRK1
SCHEMBL31409175	0.91	C5AR1 (0.53)	C5AR1APLNR

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