SCHEMBL30262126

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

nearest known ligand 0.62

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	GLP1R	P43220	2/20	0.60

▸	GCGR	P47871	1/20	0.60

▸	GIPR	P48546	1/20	0.60

▸	VIPR1	P32241	3/20	0.55

▸	IL23R	Q5VWK5	1/20	0.54

▸	PTH1R	Q03431	3/20	0.53

▸	NPY4R	P50391	3/20	0.53

▸	NPY1R	P25929	2/20	0.53

▸	NPY2R	P49146	2/20	0.53

▸	NPY5R	Q15761	2/20	0.53

▸	VIPR2	P41587	4/20	0.52

▸	KDM1A	O60341	1/20	0.52

▸	BCL2L1	Q07817	1/20	0.51

▸	BAD	Q92934	1/20	0.51

▸	CCKBR	P32239	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
SCHEMBL30973984	0.89	TFPI (0.60)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL30699435	0.89	TFPI (0.60)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL8997965	0.89	TFPI (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL8998005	0.89	TFPI (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL8997940	0.89	TFPI (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL8997988	0.89	TFPI (0.66)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29987429	0.88	TFPI (0.65)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL29500564	0.88	TFPI (0.65)	TFPIGLP1RGCGRGIPRVIPR1
SCHEMBL31519352	0.88	NPY4R (0.61)	TFPIGLP1RGCGRGIPRNPY4R
SCHEMBL30432341	0.88	GLP1R (0.63)	TFPIGLP1RGCGRGIPRVIPR1

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