SCHEMBL30262014

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.47

▸	BACE1	P56817	8/20	0.46

▸	GLP1R	P43220	1/20	0.46

▸	GCGR	P47871	1/20	0.46

▸	GIPR	P48546	1/20	0.46

▸	TFPI	P10646	1/20	0.44

▸	VIPR2	P41587	2/20	0.43

▸	CTSD	P07339	2/20	0.43

▸	VIPR1	P32241	2/20	0.43

▸	PTH1R	Q03431	1/20	0.43

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
SCHEMBL31689336	0.96	BACE1 (0.45)	RXFP1BACE1GLP1RGCGRGIPR
SCHEMBL31157682	0.92	VIPR2 (0.43)	RXFP1BACE1GLP1RGCGRGIPR
SCHEMBL30804675	0.92	BACE1 (0.49)	RXFP1BACE1TFPIVIPR2CTSD
SCHEMBL31157699	0.91	FNTA (0.43)	BACE1
SCHEMBL31157675	0.91	FOLH1 (0.44)	—
SCHEMBL31157743	0.91	FOLH1 (0.44)	—
SCHEMBL31157723	0.91	FNTA (0.43)	BACE1
SCHEMBL29561758	0.91	VIPR2 (0.50)	RXFP1BACE1GLP1RGCGRGIPR
SCHEMBL31257159	0.91	TFPI (0.44)	RXFP1BACE1TFPIVIPR2CTSD
SCHEMBL30173898	0.90	FOLH1 (0.44)	—

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