SCHEMBL28545636

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	1/20	0.40

▸	FURIN	P09958	1/20	0.40

▸	OPRL1	P41146	3/20	0.39

▸	GLP1R	P43220	2/20	0.39

▸	BACE1	P56817	1/20	0.38

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
SCHEMBL28545639	1.00	RXFP1 (0.40)	RXFP1FURINOPRL1GLP1RBACE1
SCHEMBL28539678	0.95	FURIN (0.41)	RXFP1FURINGLP1R
SCHEMBL28539679	0.95	FURIN (0.41)	RXFP1FURINGLP1R
SCHEMBL28542714	0.92	RXFP1 (0.46)	RXFP1OPRL1GLP1R
SCHEMBL28542712	0.92	RXFP1 (0.46)	RXFP1OPRL1GLP1R
SCHEMBL21261733	0.88	FURIN (0.40)	RXFP1FURIN
SCHEMBL28220246	0.86	NMT2 (0.43)	RXFP1FURINOPRL1GLP1R
SCHEMBL28220243	0.85	FURIN (0.44)	RXFP1FURINOPRL1GLP1R
SCHEMBL30456526	0.83	FURIN (0.46)	RXFP1FURIN
SCHEMBL30567745	0.82	BACE1 (0.47)	RXFP1GLP1RBACE1

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
CN-108017555-B	Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof	郑州海斯威生物技术有限公司	2021-03-26	—	—	CN	disclosed