SCHEMBL30262180

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.59

▸	CALCR	P30988	5/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	NMUR2	Q9GZQ4	1/20	0.55

▸	NMUR1	Q9HB89	1/20	0.55

▸	C5AR1	P21730	1/20	0.55

▸	APLNR	P35414	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
SCHEMBL30262247	0.91	C5AR1 (0.62)	F2CALCRRAMP3NMUR2NMUR1
SCHEMBL29811050	0.89	NPY2R (0.68)	F2CALCRRAMP3NPY2RNPY4R
SCHEMBL29679615	0.85	RAMP3 (0.60)	F2CALCRRAMP3NPY2RNPY4R
SCHEMBL30432035	0.85	NPY2R (0.59)	F2CALCRNPY2RNPY4RNPY5R
SCHEMBL29903333	0.85	APLNR (0.61)	F2CALCRRAMP3NPY2RNPY4R
SCHEMBL31148886	0.85	CALCR (0.70)	F2CALCRRAMP3NPY2RNPY4R
SCHEMBL31683361	0.85	CALCR (0.60)	F2CALCRRAMP3NPY2RNPY4R
SCHEMBL26322	0.84	F2 (0.80)	F2CALCRNPY2RNPY4RNPY5R
SCHEMBL26323	0.84	F2 (0.80)	F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30432441	0.84	CALCR (0.60)	F2CALCRRAMP3NPY2RNPY4R

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