SCHEMBL17849801

CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCC(=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(N)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	9/20	0.44

▸	NPY5R	Q15761	8/20	0.44

▸	NPY1R	P25929	7/20	0.44

▸	NPY2R	P49146	5/20	0.41

▸	IL23R	Q5VWK5	5/20	0.39

▸	SIRT5	Q9NXA8	1/20	0.38

▸	OPRL1	P41146	3/20	0.37

▸	TFPI	P10646	1/20	0.37

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
SCHEMBL18264800	0.93	NPY4R (0.45)	NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL17849807	0.93	NPY4R (0.44)	NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL17349862	0.92	NPY4R (0.44)	NPY4RNPY5RNPY1RNPY2ROPRL1
SCHEMBL20724927	0.92	NPY4R (0.46)	NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL18264745	0.91	NPY4R (0.45)	NPY4RNPY5RNPY1RNPY2ROPRL1
SCHEMBL18264759	0.91	NPY4R (0.45)	NPY4RNPY5RNPY1RNPY2ROPRL1
SCHEMBL20799372	0.86	NPY4R (0.46)	NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL19441727	0.86	NPY4R (0.49)	NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL18264830	0.84	TLR2 (0.42)	NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL20548859	0.83	NPY4R (0.49)	NPY4RNPY5RNPY1RNPY2RIL23R

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 2 patents. 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
US-9371367-B1	Selective delivery molecules and methods of use	AVELAS BIOSCIENCES, INC. (US)	2016-06-21	—	—	US	disclosed