SCHEMBL30310794

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	OPRL1	P41146	6/20	0.56

▸	IL23R	Q5VWK5	2/20	0.55

▸	NPY5R	Q15761	3/20	0.54

▸	NPY1R	P25929	2/20	0.54

▸	NPY4R	P50391	2/20	0.54

▸	NPBWR1	P48145	1/20	0.52

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
SCHEMBL30310937	0.95	TFPI (0.58)	TFPINPY5RNPY1RNPY4R
SCHEMBL31078236	0.92	TFPI (0.53)	TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL31232421	0.92	TFPI (0.56)	TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL30900790	0.92	TFPI (0.65)	TFPIOPRL1IL23RNPBWR1
SCHEMBL30900782	0.92	TFPI (0.65)	TFPIOPRL1IL23RNPBWR1
SCHEMBL30538334	0.90	TFPI (0.67)	TFPIOPRL1
SCHEMBL31411175	0.89	TFPI (0.57)	TFPIOPRL1IL23RNPY5RNPY1R
SCHEMBL31370896	0.89	TFPI (0.57)	TFPIOPRL1IL23RNPY5RNPY1R
SCHEMBL30429239	0.89	TFPI (0.62)	TFPINPY5RNPY1RNPY4R
SCHEMBL31315032	0.89	NPY4R (0.60)	TFPINPY5RNPY1RNPY4RNPBWR1

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-115838434-A	Polypeptide analogue and application thereof in medicine	南通大学	2023-03-24	—	—	CN	disclosed