SCHEMBL21581728

CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)Sc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	NPY4R	P50391	14/20	0.59

▸	NPY1R	P25929	9/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY2R	P49146	5/20	0.55

▸	KISS1R	Q969F8	3/20	0.54

▸	BACE1	P56817	1/20	0.53

▸	BACE2	Q9Y5Z0	1/20	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
SCHEMBL26455101	0.95	TFPI (0.55)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL21581724	0.94	NPY4R (0.61)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL21581725	0.91	NPY4R (0.62)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL26454304	0.87	NPY4R (0.58)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL21581732	0.87	NPY4R (0.66)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL26454247	0.85	NPY4R (0.57)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL26454272	0.83	NPY4R (0.61)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29876127	0.82	NPY4R (0.68)	NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL2493683	0.81	NPY4R (0.61)	TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29875750	0.81	NPY4R (0.73)	NPY4RNPY1RNPY5RNPY2RKISS1R

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
WO-2019222805-A1	NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW	THE UNIVERSITY OF SYDNEY (AU)	2019-11-28	—	—	WO	disclosed