SCHEMBL20459044

CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NC(CCC(C)=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O)C(C)CC

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	4/20	0.61

▸	NTSR2	O95665	2/20	0.61

▸	NPY1R	P25929	3/20	0.58

▸	F2	P00734	4/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	OPRD1	P41143	2/20	0.55

▸	SORT1	Q99523	1/20	0.54

▸	NMUR2	Q9GZQ4	1/20	0.54

▸	OPRM1	P35372	1/20	0.54

▸	OPRK1	P41145	1/20	0.54

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
SCHEMBL19003817	0.92	NTSR1 (0.63)	NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL20459060	0.91	NTSR1 (0.61)	NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL29420248	0.90	NPY1R (0.62)	NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL30584170	0.89	NTSR1 (0.59)	NTSR1NTSR2NPY1RF2NPY2R
SCHEMBL29611524	0.89	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL20707335	0.89	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611692	0.89	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29387174	0.89	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29612137	0.89	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29612065	0.89	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R

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
EP-2935312-B1	PEPTIDES AS OXYTOCIN AGONISTS	HOFFMANN LA ROCHE (CH)	2018-08-08	—	—	EP	disclosed