SCHEMBL29607182

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.56

▸	APLNR	P35414	4/20	0.53

▸	CXCR4	P61073	2/20	0.50

▸	NTSR2	O95665	3/20	0.49

▸	NTSR1	P30989	3/20	0.49

▸	SORT1	Q99523	3/20	0.49

▸	PLK1	P53350	1/20	0.48

▸	F2	P00734	2/20	0.47

▸	OPRM1	P35372	2/20	0.47

▸	OPRK1	P41145	2/20	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
SCHEMBL29608007	0.98	C5AR1 (0.59)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29608118	0.98	C5AR1 (0.59)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29608041	0.97	C5AR1 (0.58)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29607498	0.94	C5AR1 (0.55)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29607122	0.94	C5AR1 (0.56)	C5AR1APLNRCXCR4PLK1F2
SCHEMBL29607016	0.94	C5AR1 (0.56)	C5AR1APLNRCXCR4PLK1F2
SCHEMBL29608116	0.93	C5AR1 (0.57)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29608024	0.93	C5AR1 (0.57)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29607195	0.93	C5AR1 (0.56)	C5AR1APLNRCXCR4NTSR2NTSR1
SCHEMBL29607839	0.93	C5AR1 (0.56)	C5AR1APLNRCXCR4NTSR2NTSR1

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