SCHEMBL30262190

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.53

▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

▸	GLP1R	P43220	8/20	0.52

▸	GCGR	P47871	8/20	0.52

▸	GIPR	P48546	5/20	0.52

▸	CALCR	P30988	4/20	0.52

▸	CTSL	P07711	2/20	0.51

▸	CTSS	P25774	2/20	0.51

▸	CTSK	P43235	2/20	0.51

▸	CTSH	P09668	1/20	0.51

▸	CXCR4	P61073	1/20	0.50

▸	MC4R	P32245	1/20	0.50

▸	CALCRL	Q16602	1/20	0.50

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
SCHEMBL29675066	0.91	MC4R (0.56)	APLNRMAPK8MAPK9MAPK10GLP1R
SCHEMBL29635007	0.90	APLNR (0.52)	APLNRMAPK8MAPK9MAPK10GLP1R
SCHEMBL30974054	0.90	CALCRL (0.56)	APLNRMAPK8MAPK9MAPK10GLP1R
SCHEMBL30974077	0.89	EPHA2 (0.57)	APLNRGLP1RGCGRGIPRCALCR
SCHEMBL30974445	0.88	CALCRL (0.55)	APLNRMAPK8MAPK9MAPK10CALCR
SCHEMBL30607290	0.87	GLP1R (0.60)	APLNRGLP1RGCGRGIPRCALCR
SCHEMBL30231309	0.86	APLNR (0.62)	APLNRMAPK8MAPK9MAPK10GLP1R
SCHEMBL29743008	0.85	CTSL (0.56)	MAPK8MAPK9MAPK10CALCRCTSL
SCHEMBL30973967	0.85	CTSL (0.57)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL29934240	0.85	APLNR (0.61)	APLNRMAPK8MAPK9MAPK10GLP1R

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