SCHEMBL29965596

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY5R	Q15761	4/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	NPY4R	P50391	3/20	0.55

▸	TFPI	P10646	1/20	0.55

▸	GLP1R	P43220	14/20	0.54

▸	SCTR	P47872	1/20	0.54

▸	C5AR1	P21730	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	GCGR	P47871	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
SCHEMBL29965000	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965035	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965016	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965064	0.99	TFPI (0.55)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29964710	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965372	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965425	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29964975	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965133	0.99	TFPI (0.56)	NPY5RNPY1RNPY4RTFPIGLP1R
SCHEMBL29965386	0.98	TFPI (0.57)	NPY5RNPY1RNPY4RTFPIGLP1R

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-115109121-A	Polypeptide specifically bound to RIPK3 and application thereof	北京伟峰益民科技有限公司	2022-09-27	—	—	CN	disclosed