SCHEMBL30262116

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.62

▸	OPRD1	P41143	4/20	0.61

▸	CALCR	P30988	4/20	0.60

▸	NTSR1	P30989	1/20	0.59

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	TFPI	P10646	1/20	0.58

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
SCHEMBL29867671	0.93	F2 (0.62)	F2CALCRNPY1RNPY2RNPY4R
SCHEMBL29679496	0.92	CALCR (0.61)	F2CALCRNPY1RNPY2RNPY4R
SCHEMBL30437162	0.92	F2 (0.60)	F2OPRD1CALCRNPY1RNPY2R
SCHEMBL30432005	0.91	CALCR (0.62)	F2CALCRNPY1RNPY2RNPY4R
SCHEMBL31183026	0.91	NPY2R (0.64)	F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495701	0.91	NPY2R (0.64)	NPY1RNPY2RNPY4RNPY5RTFPI
SCHEMBL31182439	0.91	CALCR (0.63)	F2OPRD1CALCRNPY1RNPY2R
SCHEMBL30176416	0.91	NPY2R (0.62)	F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL31683333	0.90	CALCR (0.60)	F2OPRD1CALCRNPY1RNPY2R
SCHEMBL30437400	0.90	OPRD1 (0.61)	F2OPRD1CALCRTFPI

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed