SCHEMBL13978375

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(C)=O)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@H](C)C(=O)Nc1ccc(OC)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	6/20	0.47

▸	IL23R	Q5VWK5	7/20	0.44

▸	NPBWR1	P48145	1/20	0.43

▸	CTSL	P07711	2/20	0.42

▸	CTSS	P25774	2/20	0.42

▸	CTSK	P43235	2/20	0.42

▸	CTSH	P09668	1/20	0.42

▸	KISS1R	Q969F8	3/20	0.42

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
SCHEMBL12514982	1.00	MC4R (0.47)	MC4RIL23RNPBWR1CTSLCTSS
SCHEMBL12515001	1.00	MC4R (0.47)	MC4RIL23RNPBWR1CTSLCTSS
SCHEMBL12515484	0.97	MC4R (0.49)	MC4RIL23RKISS1R
SCHEMBL12515468	0.97	MC4R (0.49)	MC4RIL23RKISS1R
SCHEMBL12515480	0.97	MC4R (0.49)	MC4RIL23RKISS1R
SCHEMBL12514979	0.97	MC4R (0.49)	MC4RIL23RKISS1R
SCHEMBL19445738	0.96	MC4R (0.48)	MC4RIL23RNPBWR1
SCHEMBL12518641	0.95	MC4R (0.48)	MC4RIL23RKISS1R
SCHEMBL12518642	0.95	MC4R (0.48)	MC4RIL23RKISS1R
SCHEMBL12514971	0.95	MC4R (0.44)	MC4RIL23RNPBWR1KISS1R

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
WO-2012158672-A2	COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS	POLYMEDIX, INC. (US)	2012-11-22	—	—	WO	disclosed