SCHEMBL18264779

CNCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CS)C(=O)N[C@H](CCCCN)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TLR2	O60603	1/20	0.44

▸	NPY4R	P50391	13/20	0.43

▸	NPY5R	Q15761	9/20	0.43

▸	NPY1R	P25929	8/20	0.43

▸	NPY2R	P49146	6/20	0.43

▸	NMT2	O60551	1/20	0.41

▸	NMT1	P30419	1/20	0.41

▸	ROCK2	O75116	2/20	0.40

▸	PRKACA	P17612	1/20	0.40

▸	AKT3	Q9Y243	1/20	0.40

▸	IL23R	Q5VWK5	1/20	0.39

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
SCHEMBL18264812	0.91	NPY4R (0.46)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL17849843	0.89	NPY4R (0.51)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL5598740	0.87	NMT2 (0.43)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL17849790	0.86	NPY4R (0.45)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL16421626	0.86	NPY4R (0.45)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL5086123	0.85	NMT2 (0.42)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL2814907	0.85	NMT2 (0.42)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL6035682	0.84	IL23R (0.49)	IL23R
SCHEMBL29516817	0.83	TLR2 (0.48)	TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL18264761	0.83	NPY4R (0.46)	NPY4RNPY5RNPY1RNPY2R

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-9504763-B2	Selective delivery molecules and methods of use	AVELAS BIOSCIENCES, INC. (US)	2016-11-29	—	—	US	disclosed