SCHEMBL30804663

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.58

▸	OPRD1	P41143	4/20	0.58

▸	TFPI	P10646	3/20	0.56

▸	CALCR	P30988	4/20	0.56

▸	F2	P00734	2/20	0.55

▸	OPRK1	P41145	2/20	0.55

▸	EPHA2	P29317	1/20	0.55

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	1/20	0.55

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
SCHEMBL31005079	0.88	TFPI (0.67)	OPRM1OPRD1TFPICALCROPRK1
SCHEMBL30607299	0.88	CALCR (0.57)	OPRM1OPRD1CALCRNPY1RNPY2R
SCHEMBL30767710	0.88	CALCR (0.54)	OPRM1OPRD1CALCRF2NPY1R
SCHEMBL31182741	0.88	CALCR (0.62)	TFPICALCRF2NPY1RNPY2R
SCHEMBL30804654	0.87	EP300 (0.60)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30974483	0.87	TFPI (0.64)	OPRM1OPRD1TFPICALCROPRK1
SCHEMBL31005066	0.87	TFPI (0.66)	TFPICALCRNPY1RNPY2RNPY4R
SCHEMBL31014868	0.86	CALCR (0.62)	OPRM1OPRD1CALCRF2OPRK1
SCHEMBL30974100	0.86	TFPI (0.66)	OPRM1OPRD1TFPICALCROPRK1
SCHEMBL30261995	0.86	OPRD1 (0.61)	OPRM1OPRD1TFPIF2OPRK1

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-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed