SCHEMBL30709702

CCC(C)C(NC(=O)CN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O)C(C)CC)C(C)CC)C(C)O)C(C)O)C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	CXCR4	P61073	5/20	0.65

▸	RXFP1	Q9HBX9	4/20	0.61

▸	GLP1R	P43220	8/20	0.59

▸	IL23R	Q5VWK5	1/20	0.59

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
SCHEMBL29973066	1.00	NPY1R (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
Melittin SCHEMBL29351537	0.97	CXCR4 (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
Melittin SCHEMBL19458851	0.97	CXCR4 (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29993338	0.97	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30456690	0.96	NPY2R (0.68)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30978816	0.95	CXCR4 (0.70)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29989757	0.95	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30456977	0.95	NPY1R (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30081077	0.95	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29993191	0.95	IL23R (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4

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-20240009269-A1	MEMBRANE-ACTIVE PEPTIDES AND METHODS FOR REVERSIBLE BLOOD- BRAIN BARRIER OPENING	THE JOHNS HOPKINS UNIVERSITY (US)	2024-01-11	—	—	US	disclosed