SCHEMBL30262121

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

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.59

▸	F2	P00734	4/20	0.59

▸	NTSR1	P30989	2/20	0.56

▸	NTSR2	O95665	1/20	0.56

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	NPY2R	P49146	2/20	0.55

▸	NPY4R	P50391	2/20	0.55

▸	NPY5R	Q15761	2/20	0.55

▸	NPY1R	P25929	1/20	0.55

▸	EP300	Q09472	1/20	0.55

▸	HIF1A	Q16665	1/20	0.55

▸	TFPI	P10646	1/20	0.54

▸	KDM1A	O60341	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
SCHEMBL30432355	0.93	CALCR (0.65)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL19003817	0.89	NTSR1 (0.63)	F2NTSR1NTSR2NPY2RNPY4R
SCHEMBL30262137	0.89	NTSR1 (0.58)	CALCRF2NTSR1NTSR2
SCHEMBL29509548	0.89	TFPI (0.65)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31199057	0.88	NPY2R (0.60)	CALCRF2NTSR1NTSR2HCRTR1
SCHEMBL30831411	0.88	CALCR (0.63)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL29377200	0.87	NTSR1 (0.61)	F2NTSR1NTSR2NPY2RNPY4R
SCHEMBL29420255	0.87	NTSR1 (0.61)	CALCRF2NTSR1NTSR2NPY2R
SCHEMBL30712883	0.87	CALCR (0.62)	CALCRF2TFPIKDM1A
SCHEMBL29420253	0.87	NTSR1 (0.61)	NTSR1NTSR2NPY2RNPY4RNPY5R

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