SCHEMBL30139095

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

nearest known ligand 0.68

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	7/20	0.59

▸	GLP1R	P43220	3/20	0.58

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

▸	VIPR1	P32241	1/20	0.57

▸	CCKBR	P32239	1/20	0.57

▸	RXFP1	Q9HBX9	1/20	0.55

▸	KEAP1	Q14145	1/20	0.55

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
SCHEMBL30139094	0.96	PTH1R (0.57)	PTH1RGLP1RECE1MUS81VIPR1
SCHEMBL30358174	0.94	PTH1R (0.62)	PTH1RGLP1RECE1MUS81VIPR1
SCHEMBL30607324	0.88	VIPR1 (0.65)	PTH1RGLP1RECE1MUS81VIPR1
SCHEMBL29897130	0.88	GLP1R (0.55)	GLP1RECE1MUS81VIPR1KEAP1
SCHEMBL30431350	0.88	OPRL1 (0.59)	PTH1RGLP1RVIPR1CCKBR
Neuropeptide S SCHEMBL29464558	0.88	TFPI (0.61)	PTH1RGLP1RVIPR1CCKBRRXFP1
SCHEMBL30176428	0.87	PTH1R (0.70)	PTH1RGLP1RECE1MUS81VIPR1
SCHEMBL197505	0.87	GLP1R (0.71)	PTH1RGLP1RVIPR1CCKBRRXFP1
SCHEMBL34139	0.87	GLP1R (0.71)	PTH1RGLP1RVIPR1CCKBRRXFP1
SCHEMBL30504369	0.87	GLP1R (0.71)	PTH1RGLP1RVIPR1CCKBRRXFP1

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-115626953-A	Aspergillus fumigatus galactomannan mimic peptide	王艳芳	2023-01-20	—	—	CN	disclosed