SCHEMBL19445517

COc1ccc(NC(=O)[C@@H](CCCN)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(=O)[C@H](N)CCCN)ccc4O)ccc3O)ccc2OC)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	9/20	0.40

▸	NPY1R	P25929	5/20	0.40

▸	NPY2R	P49146	4/20	0.38

▸	NPY5R	Q15761	4/20	0.38

▸	MMP2	P08253	1/20	0.38

▸	ERAP2	Q6P179	4/20	0.36

▸	LNPEP	Q9UIQ6	2/20	0.36

▸	ERAP1	Q9NZ08	2/20	0.36

▸	SUV39H2	Q9H5I1	1/20	0.35

▸	AAK1	Q2M2I8	2/20	0.35

▸	F2	P00734	1/20	0.35

▸	TSHR	P16473	1/20	0.34

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
SCHEMBL10260136	0.96	NPY4R (0.41)	NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL19214481	0.96	NPY4R (0.41)	NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL12518297	0.96	NPY4R (0.41)	NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL18116730	0.94	NPY4R (0.41)	NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10261868	0.94	NPY4R (0.43)	NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10262715	0.94	NPY4R (0.42)	NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL19445659	0.94	NPY4R (0.42)	NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10263133	0.94	NPY4R (0.42)	NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10261836	0.94	NPY4R (0.42)	NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10263161	0.94	NPY4R (0.42)	NPY4RNPY1RNPY2RNPY5RERAP2

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-2709619-B1	COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS	CELLCEUTIX CORP (US)	2017-10-11	—	—	EP	disclosed