SCHEMBL30861237

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	QRFPR	Q96P65	1/20	0.51

▸	TFPI	P10646	1/20	0.50

▸	OPRM1	P35372	3/20	0.49

▸	OPRD1	P41143	3/20	0.49

▸	OPRK1	P41145	1/20	0.49

▸	KEAP1	Q14145	1/20	0.49

▸	NPY4R	P50391	6/20	0.48

▸	NPY1R	P25929	4/20	0.48

▸	NPY2R	P49146	4/20	0.48

▸	NPY5R	Q15761	4/20	0.48

▸	FOLH1	Q04609	2/20	0.47

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
SCHEMBL30544262	0.94	FOLH1 (0.53)	QRFPRTFPIOPRM1OPRD1OPRK1
SCHEMBL31462066	0.91	QRFPR (0.57)	QRFPROPRM1OPRD1OPRK1NPY4R
SCHEMBL31461913	0.91	QRFPR (0.57)	QRFPROPRM1OPRD1OPRK1NPY4R
SCHEMBL31031480	0.90	TFPI (0.55)	TFPIOPRM1OPRD1OPRK1KEAP1
SCHEMBL29679826	0.90	NPY4R (0.51)	QRFPRTFPIOPRM1OPRD1NPY4R
SCHEMBL30903456	0.90	FOLH1 (0.49)	TFPIOPRM1OPRD1OPRK1KEAP1
SCHEMBL30839569	0.90	TFPI (0.56)	TFPIKEAP1
SCHEMBL30350874	0.90	TFPI (0.55)	TFPIOPRM1OPRD1OPRK1NPY4R
SCHEMBL30562995	0.90	TFPI (0.55)	TFPIOPRM1OPRD1OPRK1NPY4R
SCHEMBL31121317	0.89	TFPI (0.60)	TFPIOPRM1OPRD1OPRK1NPY4R

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-117814263-A	Biological agent for preventing and treating clubroot of cruciferous flower and application thereof	云南星耀生物制品有限公司	2024-04-05	—	—	CN	disclosed