SCHEMBL30262159

CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.56

▸	OPRM1	P35372	5/20	0.55

▸	OPRD1	P41143	5/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	TFPI	P10646	1/20	0.54

▸	GLP1R	P43220	1/20	0.53

▸	GCGR	P47871	1/20	0.53

▸	GIPR	P48546	1/20	0.53

▸	PTH1R	Q03431	1/20	0.52

▸	KEAP1	Q14145	1/20	0.51

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
SCHEMBL31182935	0.90	TFPI (0.62)	IL23RTFPIGLP1RGCGRGIPR
SCHEMBL29811053	0.89	IL23R (0.59)	IL23ROPRM1OPRD1OPRK1TFPI
SCHEMBL30668120	0.88	OPRM1 (0.60)	OPRM1OPRD1OPRK1TFPIGLP1R
SCHEMBL30567786	0.88	TFPI (0.58)	TFPIGLP1RPTH1R
SCHEMBL29609357	0.88	TFPI (0.64)	IL23RTFPIGLP1RGCGRGIPR
SCHEMBL30083769	0.88	TFPI (0.63)	IL23ROPRM1OPRD1OPRK1TFPI
SCHEMBL30726528	0.87	BACE1 (0.56)	TFPIGLP1RGCGRGIPR
SCHEMBL30903291	0.87	TFPI (0.63)	IL23RTFPIGLP1RGCGRGIPR
SCHEMBL29365490	0.87	TFPI (0.62)	OPRM1OPRD1OPRK1TFPIGLP1R
SCHEMBL31000935	0.87	TFPI (0.65)	OPRM1OPRD1OPRK1TFPIGLP1R

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