SCHEMBL12514971

COc1ccc(NC(=O)[C@@H](C)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)CCCNC(=N)N)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	6/20	0.44

▸	ERAP2	Q6P179	5/20	0.42

▸	ERAP1	Q9NZ08	5/20	0.42

▸	LNPEP	Q9UIQ6	4/20	0.42

▸	NPBWR1	P48145	3/20	0.42

▸	IL1RN	P18510	2/20	0.41

▸	CXCR4	P61073	1/20	0.41

▸	IL23R	Q5VWK5	2/20	0.41

▸	KISS1R	Q969F8	1/20	0.41

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
SCHEMBL12514972	0.97	MC4R (0.46)	MC4RERAP2ERAP1LNPEPIL1RN
SCHEMBL13973857	0.97	MC4R (0.46)	MC4RERAP2ERAP1LNPEPIL1RN
SCHEMBL13973759	0.97	MC4R (0.46)	MC4RERAP2ERAP1LNPEPIL1RN
SCHEMBL13973837	0.97	MC4R (0.46)	MC4RERAP2ERAP1LNPEPIL1RN
SCHEMBL19486139	0.96	MC4R (0.45)	MC4RERAP2ERAP1LNPEPNPBWR1
SCHEMBL19219797	0.96	MC4R (0.45)	MC4RERAP2ERAP1LNPEPNPBWR1
SCHEMBL13978375	0.95	MC4R (0.47)	MC4RNPBWR1IL23RKISS1R
SCHEMBL12515001	0.95	MC4R (0.47)	MC4RNPBWR1IL23RKISS1R
SCHEMBL12514982	0.95	MC4R (0.47)	MC4RNPBWR1IL23RKISS1R
SCHEMBL19214489	0.95	MC4R (0.46)	MC4RERAP2ERAP1LNPEPNPBWR1

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-2011084970-A1	ANTI-HEPARIN COMPOUNDS	POLYMEDIX INC. (US)	2011-07-14	—	—	WO	disclosed