Alsactide

SCHEMBL1649355

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN)C(C)C

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	3/20	0.84

▸	MC5R	P33032	2/20	0.84

▸	MC3R	P41968	2/20	0.84

▸	MC1R	Q01726	2/20	0.84

▸	CXCR4	P61073	13/20	0.71

▸	C5AR1	P21730	1/20	0.65

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	PTH1R	Q03431	2/20	0.64

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
Giractide SCHEMBL1650268	0.96	MC4R (0.85)	MC4RMC5RMC3RMC1RCXCR4
SCHEMBL31477752	0.96	MC4R (0.83)	MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29622934	0.95	MC4R (0.83)	MC4RMC5RMC3RMC1RCXCR4
Intermedine SCHEMBL29380794	0.95	MC4R (0.93)	MC4RMC5RMC3RMC1RCXCR4
Intermedine SCHEMBL29355455	0.95	MC4R (0.93)	MC4RMC5RMC3RMC1RCXCR4
Intermedine SCHEMBL20548029	0.95	MC4R (0.93)	MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29519503	0.95	MC4R (0.81)	MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29382991	0.94	MC4R (0.84)	MC4RMC5RMC3RMC1RCXCR4
SCHEMBL29385997	0.94	MC4R (0.84)	MC4RMC5RMC3RMC1RCXCR4
Cosyntropin SCHEMBL33367	0.94	MC4R (0.81)	MC4RMC5RMC3RMC1RCXCR4

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
US-7927613-B2	Pharmaceutical co-crystal compositions	UNIVERSITY OF SOUTH FLORIDA (US)	2011-04-19	—	—	US	disclosed