SCHEMBL20866863

CC[C@H](C)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	11/20	0.56

▸	NTSR2	O95665	9/20	0.56

▸	NPY1R	P25929	2/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

▸	SORT1	Q99523	7/20	0.55

▸	OPRD1	P41143	2/20	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
SCHEMBL11794956	0.92	OPRD1 (0.58)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL11794942	0.92	OPRD1 (0.58)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL31556400	0.92	NPY1R (0.59)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL25918556	0.91	NPY1R (0.60)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30468117	0.89	NTSR1 (0.59)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30584170	0.88	NTSR1 (0.59)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611528	0.88	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL20707335	0.88	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611824	0.88	NPY1R (0.62)	NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611985	0.88	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
WO-2019060962-A1	METABOLITE INSPIRED SELECTIVE OXYTOCIN RECEPTOR AGONISTS	THE UNIVERSITY OF SYDNEY (AU)	2019-04-04	—	—	WO	disclosed