SCHEMBL30536327

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.72

▸	NPY4R	P50391	8/20	0.72

▸	NPY5R	Q15761	8/20	0.72

▸	NPY1R	P25929	6/20	0.72

▸	EED	O75530	1/20	0.63

▸	KISS1R	Q969F8	3/20	0.59

▸	GLP1R	P43220	3/20	0.58

▸	CXCR4	P61073	1/20	0.58

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	GCGR	P47871	1/20	0.57

▸	GIPR	P48546	1/20	0.57

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
SCHEMBL30437221	0.89	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495825	0.89	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29578881	0.89	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL29351200	0.89	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL30433133	0.89	NPY1R (0.64)	NPY2RNPY4RNPY5RNPY1REED
SCHEMBL31182815	0.88	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30607323	0.88	GLP1R (0.64)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182720	0.88	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1REED
SCHEMBL30426605	0.87	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30607423	0.87	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RKISS1R

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
US-20230270838-A1	VACCINE COMPOSITIONS FOR INFLUENZA VIRUSES AND METHODS OF USE	ASCIONE RICHARD (US)	2023-08-31	—	—	US	disclosed