SCHEMBL30354439

CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	16/20	0.64

▸	NPY1R	P25929	10/20	0.64

▸	NPY5R	Q15761	9/20	0.64

▸	NPY2R	P49146	6/20	0.64

▸	TFPI	P10646	1/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.53

▸	NMUR1	Q9HB89	2/20	0.53

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
SCHEMBL31013860	1.00	NPY4R (0.64)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL22413050	0.92	NPY4R (0.65)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL22413053	0.92	NPY4R (0.65)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30512654	0.92	NPY4R (0.62)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29548324	0.91	TFPI (0.63)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30354440	0.90	NPY4R (0.57)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31013834	0.90	NPY4R (0.57)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31269521	0.88	NPY4R (0.64)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31013870	0.88	NPY4R (0.55)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30354443	0.88	NPY4R (0.55)	NPY4RNPY1RNPY5RNPY2RTFPI

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-115947786-A	Self-assembled short peptide with crystallization inducing capability and long-acting local anesthesia and antitumor drug prepared from self-assembled short peptide	四川大学华西医院	2023-04-11	—	—	CN	disclosed