SCHEMBL29405667

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

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.66

▸	NPY4R	P50391	12/20	0.60

▸	NPY1R	P25929	8/20	0.60

▸	NPY2R	P49146	6/20	0.60

▸	NPY5R	Q15761	6/20	0.60

▸	OPRM1	P35372	1/20	0.58

▸	OPRD1	P41143	1/20	0.58

▸	OPRK1	P41145	1/20	0.58

▸	KEAP1	Q14145	1/20	0.56

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
SCHEMBL30863947	0.97	TFPI (0.66)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30842196	0.93	OPRM1 (0.64)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29387068	0.92	TFPI (0.69)	TFPINPY4ROPRM1OPRD1OPRK1
SCHEMBL29366672	0.92	TFPI (0.69)	TFPINPY4ROPRM1OPRD1OPRK1
SCHEMBL29388572	0.92	TFPI (0.63)	TFPINPY4RNPY1RNPY2RNPY5R
Acetic Acid SCHEMBL29533494	0.91	TFPI (0.69)	TFPIOPRM1OPRD1OPRK1KEAP1
SCHEMBL30842195	0.91	TFPI (0.65)	TFPIOPRM1OPRD1OPRK1KEAP1
SCHEMBL29822749	0.90	NPY4R (0.69)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29568582	0.90	NPY4R (0.60)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30974264	0.90	TFPI (0.63)	TFPIOPRM1OPRD1OPRK1KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114088853-A	Characteristic peptide segment of soman poisoning and identification method of soman poisoning	中国人民解放军61699部队	2022-02-25	—	—	CN	claimed
CN-114088853-A	Characteristic peptide segment of soman poisoning and identification method of soman poisoning	中国人民解放军61699部队	2022-02-25	—	—	CN	disclosed