SCHEMBL30578780

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

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.55

▸	VIPR2	P41587	6/20	0.55

▸	NPY4R	P50391	8/20	0.55

▸	NPY1R	P25929	6/20	0.55

▸	NPY5R	Q15761	5/20	0.55

▸	VIPR1	P32241	4/20	0.55

▸	NPY2R	P49146	4/20	0.55

▸	TFPI	P10646	1/20	0.51

▸	RXFP1	Q9HBX9	1/20	0.51

▸	GLP1R	P43220	1/20	0.51

▸	GCGR	P47871	1/20	0.51

▸	GIPR	P48546	1/20	0.51

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
SCHEMBL30578764	1.00	BACE1 (0.55)	BACE1VIPR2NPY4RNPY1RNPY5R
SCHEMBL30578759	0.96	NPY4R (0.59)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30578763	0.96	NPY4R (0.59)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30578755	0.96	NPY4R (0.59)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30578761	0.96	NPY4R (0.59)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30578757	0.96	NPY4R (0.58)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30578760	0.96	NPY4R (0.58)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30578765	0.94	VIPR2 (0.60)	VIPR2NPY4RNPY1RNPY5RVIPR1
SCHEMBL30168733	0.92	VIPR2 (0.57)	BACE1VIPR2VIPR1TFPIGLP1R
SCHEMBL30262153	0.92	NPY4R (0.58)	BACE1VIPR2NPY4RNPY1RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116804044-A	Polypeptide for inhibiting H1N1 influenza virus and preparation method and application thereof	北京凯因格领生物技术有限公司	2023-09-26	—	—	CN	claimed
CN-116804044-A	Polypeptide for inhibiting H1N1 influenza virus and preparation method and application thereof	北京凯因格领生物技术有限公司	2023-09-26	—	—	CN	disclosed