SCHEMBL30262148

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	NPY2R	P49146	8/20	0.58

▸	NPY4R	P50391	8/20	0.58

▸	NPY5R	Q15761	8/20	0.58

▸	NPY1R	P25929	6/20	0.58

▸	NMUR2	Q9GZQ4	4/20	0.58

▸	NMUR1	Q9HB89	4/20	0.58

▸	TFPI	P10646	4/20	0.56

▸	EPHA2	P29317	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
SCHEMBL31182883	0.90	CXCR4 (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31281023	0.89	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30712950	0.88	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29509548	0.88	TFPI (0.65)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30862323	0.87	NPY2R (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
Sptcipsgqpcpynenccsqsctfkenengntvkrcd SCHEMBL29695388	0.87	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30576941	0.87	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30495701	0.86	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL29525763	0.86	KDM1A (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31544752	0.86	TFPI (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R

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