SCHEMBL30403578

CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)CN)[C@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	2/20	0.54

▸	CXCL8	P10145	10/20	0.53

▸	NTSR1	P30989	1/20	0.52

▸	SLC6A2	P23975	1/20	0.50

▸	CALCR	P30988	2/20	0.49

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	REN	P00797	1/20	0.49

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
SCHEMBL30116698	0.93	CALCRL (0.59)	CALCRLCXCL8SLC6A2CRHR1CRHR2
SCHEMBL29429585	0.85	SLC6A2 (0.53)	CALCRLNTSR1SLC6A2
Reltecimod SCHEMBL29430066	0.82	CXCL8 (0.53)	CALCRLCXCL8NTSR1CALCRREN
SCHEMBL29994173	0.82	CALCRL (0.59)	CALCRLNTSR1SLC6A2REN
SCHEMBL38665591	0.81	SLC6A2 (0.59)	CALCRLCXCL8NTSR1SLC6A2CALCR
Reltecimod SCHEMBL29533665	0.80	CXCL8 (0.52)	CALCRLCXCL8NTSR1CALCR
SCHEMBL31140767	0.79	CALCRL (0.56)	CALCRLNTSR1SLC6A2REN
SCHEMBL38663397	0.79	NPY2R (0.56)	NTSR1SLC6A2CALCRREN
SCHEMBL29848357	0.78	SLC6A2 (0.51)	CALCRLCXCL8NTSR1SLC6A2
SCHEMBL29699958	0.78	SLC6A2 (0.59)	CALCRLNTSR1SLC6A2

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-11634465-B2	Analogues of VDAC1-derived peptides	B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNLVERSITY (IL)	2023-04-25	—	—	US	disclosed