SCHEMBL30262194

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.57

▸	TFPI	P10646	6/20	0.54

▸	EPHA2	P29317	2/20	0.54

▸	RAMP3	O60896	4/20	0.54

▸	CALCR	P30988	4/20	0.54

▸	KEAP1	Q14145	1/20	0.53

▸	F2	P00734	2/20	0.52

▸	KDM1A	O60341	1/20	0.52

▸	NPY1R	P25929	1/20	0.52

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	NPY5R	Q15761	1/20	0.52

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
SCHEMBL29707431	0.89	MC4R (0.62)	TFPIRAMP3CALCRKDM1ANPY1R
SCHEMBL29721233	0.87	APLNR (0.57)	APLNRCALCRKEAP1F2KDM1A
SCHEMBL30607386	0.87	MC4R (0.61)	APLNRTFPIRAMP3CALCRF2
SCHEMBL30883205	0.86	F2 (0.61)	APLNRTFPIRAMP3CALCRF2
SCHEMBL31696781	0.86	CALCR (0.65)	APLNRTFPIRAMP3CALCRNPY1R
SCHEMBL29700297	0.86	APLNR (0.66)	APLNRTFPICALCRF2KDM1A
SCHEMBL31182755	0.85	CALCR (0.60)	APLNRRAMP3CALCRKEAP1F2
SCHEMBL30495765	0.85	NPY2R (0.64)	TFPICALCRKDM1ANPY1RNPY2R
SCHEMBL30141845	0.85	APLNR (0.68)	APLNRTFPICALCRF2KDM1A
SCHEMBL29749731	0.85	APLNR (0.68)	APLNRTFPICALCRF2KDM1A

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