SCHEMBL19445734

COc1ccc(C(N)=O)cc1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c1cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@H](N)CCCNC(=N)N)ccc2OC)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	9/20	0.40

▸	ERAP1	Q9NZ08	4/20	0.40

▸	LNPEP	Q9UIQ6	6/20	0.40

▸	NPY4R	P50391	6/20	0.39

▸	NPY1R	P25929	4/20	0.39

▸	CYP1A2	P05177	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	L3MBTL1	Q9Y468	1/20	0.37

▸	NPY2R	P49146	3/20	0.37

▸	NPY5R	Q15761	3/20	0.37

▸	MMP2	P08253	1/20	0.37

▸	HDAC1	Q13547	1/20	0.36

▸	HDAC6	Q9UBN7	1/20	0.36

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
SCHEMBL13973836	1.00	ERAP2 (0.40)	ERAP2ERAP1LNPEPNPY4RNPY1R
SCHEMBL17949774	0.98	ERAP2 (0.38)	ERAP2ERAP1LNPEPNPY4RNPY1R
SCHEMBL10260958	0.91	PARP1 (0.40)	NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL10262675	0.91	NPY4R (0.42)	NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL12444369	0.91	NPY4R (0.42)	NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL16285905	0.91	NPY4R (0.42)	NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL15138938	0.91	NPY4R (0.42)	NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL10261272	0.90	F3 (0.40)	NPY4RNPY1RMMP2HDAC1HDAC6
SCHEMBL19945118	0.89	NPY4R (0.43)	ERAP2LNPEPNPY4RNPY1RKMT2A
SCHEMBL10261740	0.89	NPY4R (0.44)	NPY4RNPY1RNPY2RNPY5RMMP2

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