SCHEMBL30262033

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	7/20	0.57

▸	CCKBR	P32239	1/20	0.55

▸	GLP1R	P43220	1/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	VIPR2	P41587	3/20	0.54

▸	TFPI	P10646	1/20	0.54

▸	RXFP1	Q9HBX9	2/20	0.53

▸	VIPR1	P32241	2/20	0.53

▸	IL23R	Q5VWK5	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
SCHEMBL30974168	0.93	TFPI (0.58)	PTH1RGLP1RVIPR2TFPIVIPR1
SCHEMBL30262056	0.90	KEAP1 (0.62)	PTH1RCCKBRGLP1RKEAP1VIPR2
SCHEMBL29964966	0.90	PTH1R (0.62)	PTH1RCCKBRGLP1RKEAP1VIPR2
SCHEMBL31658709	0.90	TFPI (0.58)	PTH1RGLP1RVIPR2TFPIVIPR1
SCHEMBL30168689	0.89	TFPI (0.57)	VIPR2TFPIVIPR1IL23R
SCHEMBL30432939	0.89	PTH1R (0.65)	PTH1RCCKBRGLP1RVIPR2TFPI
SCHEMBL30974569	0.88	TFPI (0.55)	PTH1RGLP1RKEAP1VIPR2TFPI
SCHEMBL30974318	0.88	TFPI (0.58)	PTH1RGLP1RVIPR2TFPIVIPR1
SCHEMBL30974343	0.88	TFPI (0.58)	PTH1RGLP1RVIPR2TFPIVIPR1
SCHEMBL30974237	0.88	TFPI (0.58)	PTH1RGLP1RVIPR2TFPIVIPR1

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