SCHEMBL30429239

C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)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](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

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

▸	OPRD1	P41143	6/20	0.55

▸	OPRM1	P35372	5/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	NPY5R	Q15761	3/20	0.53

▸	NPY1R	P25929	2/20	0.53

▸	NPY4R	P50391	2/20	0.53

▸	KISS1R	Q969F8	2/20	0.53

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	0.93	TFPI (0.58)	TFPIOPRD1OPRM1OPRK1NPY5R
SCHEMBL30900790	0.92	TFPI (0.65)	TFPIOPRD1OPRM1OPRK1
SCHEMBL30900782	0.92	TFPI (0.65)	TFPIOPRD1OPRM1OPRK1
SCHEMBL30350874	0.91	TFPI (0.55)	TFPIOPRD1OPRM1OPRK1NPY5R
SCHEMBL30562995	0.91	TFPI (0.55)	TFPIOPRD1OPRM1OPRK1NPY5R
SCHEMBL30942326	0.89	OPRD1 (0.64)	TFPIOPRD1OPRM1OPRK1NPY5R
SCHEMBL30310794	0.89	TFPI (0.62)	TFPINPY5RNPY1RNPY4R
SCHEMBL31121317	0.89	TFPI (0.60)	TFPIOPRD1OPRM1OPRK1NPY5R
SCHEMBL29679886	0.89	NPY5R (0.56)	TFPIOPRD1OPRM1OPRK1NPY5R
SCHEMBL31141451	0.89	TFPI (0.65)	TFPIOPRD1OPRM1OPRK1NPY5R

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
US-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed