SCHEMBL23336282

N=C(N)NCCCCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1CCC(O)N1

nearest known ligand 0.46

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	2/20	0.46

▸	NPY4R	P50391	12/20	0.44

▸	NPY1R	P25929	9/20	0.44

▸	NPY5R	Q15761	8/20	0.44

▸	NPY2R	P49146	5/20	0.44

▸	GRIN1	Q05586	1/20	0.42

▸	GRIN2A	Q12879	1/20	0.42

▸	CHRNB2	P17787	2/20	0.42

▸	CHRNB4	P30926	2/20	0.42

▸	CHRNA3	P32297	2/20	0.42

▸	CHRNA4	P43681	2/20	0.42

▸	GRIA1	P42261	1/20	0.41

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
SCHEMBL18237095	0.86	HDAC3 (0.49)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL18237218	0.83	NPY4R (0.58)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL18233929	0.83	NPY4R (0.58)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL18237127	0.83	NPY4R (0.58)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL16948275	0.83	NPY4R (0.58)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL18237099	0.83	NPY4R (0.58)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL18237092	0.82	NPY4R (0.57)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL16948263	0.82	NPY4R (0.54)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL16948276	0.82	NPY4R (0.54)	CTSLNPY4RNPY1RNPY5RNPY2R
SCHEMBL18237102	0.81	CTSL (0.56)	CTSLNPY4RNPY1RNPY5RNPY2R

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
EP-3071591-B1	ANTIMICROBIAL PEPTIDOMIMETICS	AGENCY SCIENCE TECH & RES (SG)	2021-05-05	—	—	EP	disclosed