SCHEMBL12387488

CC(=O)CN(C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(C(=O)CN(CCCCN)C(=O)CN(C(C)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC3R	P41968	8/20	0.43

▸	MC4R	P32245	7/20	0.43

▸	MC1R	Q01726	1/20	0.43

▸	MC5R	P33032	7/20	0.37

▸	GAA	P10253	1/20	0.36

▸	ACHE	P22303	1/20	0.35

▸	F2	P00734	4/20	0.35

▸	PLG	P00747	2/20	0.35

▸	PLAT	P00750	2/20	0.35

▸	PRSS1	P07477	2/20	0.35

▸	F10	P00742	1/20	0.35

▸	ALOX5	P09917	1/20	0.35

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
SCHEMBL10085169	1.00	MC3R (0.43)	MC3RMC4RMC1RMC5RGAA
SCHEMBL12387461	0.98	MC3R (0.43)	MC3RMC4RMC1RMC5RGAA
SCHEMBL12387566	0.98	MC3R (0.43)	MC3RMC4RMC1RMC5RGAA
SCHEMBL13045405	0.96	MC3R (0.43)	MC3RMC4RMC1RMC5RACHE
SCHEMBL12387583	0.94	MC3R (0.49)	MC3RMC4RMC1RMC5RGAA
SCHEMBL21376572	0.94	MC3R (0.49)	MC3RMC4RMC1RMC5RGAA
SCHEMBL16299312	0.94	MC3R (0.42)	MC3RMC4RMC1RMC5RGAA
SCHEMBL14524599	0.92	MC3R (0.43)	MC3RMC4RMC1RMC5RACHE
SCHEMBL13045382	0.92	MC3R (0.41)	MC3RMC4RMC1RMC5RGAA
SCHEMBL16315947	0.91	MC3R (0.42)	MC3RMC4RMC1RMC5RGAA

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-20110189692-A1	ASSAY FOR PATHOGENIC CONFORMERS	NOVARTIS AG	2011-08-04	—	—	US	disclosed
US-20110189692-A1	ASSAY FOR PATHOGENIC CONFORMERS	NOVARTIS AG	2011-08-04	—	—	US	disclosed