SCHEMBL30804648

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

▸	CXCR4	P61073	1/20	0.63

▸	TFPI	P10646	4/20	0.62

▸	CALCR	P30988	4/20	0.62

▸	RAMP3	O60896	1/20	0.60

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
SCHEMBL30495646	0.92	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495665	0.92	CALCR (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29523674	0.92	CALCR (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176425	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495756	0.91	CALCR (0.64)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29939229	0.91	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182744	0.91	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182900	0.91	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495784	0.91	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29502837	0.91	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RTFPI

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