SCHEMBL29746596

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

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	7/20	0.54

▸	NPY1R	P25929	2/20	0.51

▸	NPY2R	P49146	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

▸	NPY5R	Q15761	2/20	0.51

▸	IL23R	Q5VWK5	1/20	0.50

▸	OPRM1	P35372	1/20	0.50

▸	OPRD1	P41143	1/20	0.50

▸	OPRK1	P41145	1/20	0.50

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
SCHEMBL29746651	0.98	PTH1R (0.53)	PTH1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30930548	0.93	PTH1R (0.54)	PTH1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31678873	0.91	TFPI (0.56)	PTH1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30209471	0.89	OPRM1 (0.54)	OPRM1OPRD1OPRK1
SCHEMBL30883227	0.88	TFPI (0.56)	NPY1RNPY2RNPY4RNPY5ROPRM1
SCHEMBL30842195	0.88	TFPI (0.65)	PTH1RIL23ROPRM1OPRD1OPRK1
SCHEMBL31437674	0.87	NPY4R (0.57)	NPY1RNPY2RNPY4RNPY5ROPRM1
SCHEMBL29683178	0.87	NPY4R (0.51)	NPY1RNPY2RNPY4RNPY5R
SCHEMBL29862843	0.87	PTH1R (0.57)	PTH1R
SCHEMBL31462036	0.87	NPY4R (0.55)	NPY1RNPY2RNPY4RNPY5ROPRM1

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-107406480-B	Peptide synthesis method	JITSUBO株式会社	2022-06-24	—	—	CN	disclosed