SCHEMBL30658303

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

nearest known ligand 0.83

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.68

▸	NPY4R	P50391	8/20	0.68

▸	NPY5R	Q15761	8/20	0.68

▸	NPY1R	P25929	6/20	0.68

▸	EP300	Q09472	1/20	0.64

▸	HIF1A	Q16665	1/20	0.64

▸	TFPI	P10646	4/20	0.64

▸	CALCR	P30988	4/20	0.63

▸	GLP1R	P43220	2/20	0.63

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
SCHEMBL30432021	0.93	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182841	0.93	TFPI (0.66)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30435649	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182678	0.92	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30712913	0.92	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658338	0.92	CALCR (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432066	0.92	EP300 (0.67)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495779	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30712956	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182683	0.91	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1REP300

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-11753627-B2	Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4	THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US)	2023-09-12	—	—	US	disclosed