SCHEMBL31027702

CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.65

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	TFPI	P10646	6/20	0.62

▸	KDM1A	O60341	2/20	0.61

▸	RAMP3	O60896	1/20	0.61

▸	CALCR	P30988	1/20	0.61

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
SCHEMBL30834205	0.97	NPY2R (0.66)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30432704	0.92	NPY2R (0.68)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30176462	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30974574	0.92	CALCRL (0.61)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30804676	0.92	NPY2R (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182494	0.91	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182662	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30844362	0.90	EPHA2 (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30844258	0.90	EPHA2 (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30844318	0.90	EPHA2 (0.63)	EPHA2NPY2RNPY4RNPY5RNPY1R

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-118453538-A	LIFU activated endogenous H2S nano-particle, preparation method and application	重庆医科大学附属第二医院	2024-08-09	—	—	CN	disclosed