SCHEMBL31295738

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.64

▸	KEAP1	Q14145	1/20	0.64

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

▸	CALCR	P30988	2/20	0.61

▸	GLP1R	P43220	3/20	0.60

▸	GCGR	P47871	3/20	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
SCHEMBL29362184	0.94	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29523674	0.93	CALCR (0.70)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29410232	0.93	KEAP1 (0.67)	TFPIKEAP1NPY2RNPY4RNPY5R
SCHEMBL30567783	0.93	TFPI (0.60)	TFPIKEAP1NPY2RNPY4RNPY5R
Motilin SCHEMBL29580303	0.93	CALCR (0.64)	TFPIKEAP1NPY2RNPY4RNPY5R
SCHEMBL30495811	0.92	NPY2R (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30567702	0.92	KDM1A (0.61)	TFPIKEAP1NPY2RNPY4RNPY5R
SCHEMBL31182662	0.92	NPY2R (0.68)	TFPIKEAP1NPY2RNPY4RNPY5R
SCHEMBL30495778	0.92	NPY2R (0.69)	TFPIKEAP1NPY2RNPY4RNPY5R
SCHEMBL31182963	0.91	TFPI (0.68)	TFPINPY2RNPY4RNPY5RNPY1R

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-119120488-A	Corn internode length regulation gene ZmIL, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-12-13	—	—	CN	disclosed