SCHEMBL3045366

SCHEMBL3045366

CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc([Sn](C)(C)C)c(C#CCN3CCCC3)n2c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC4R P32245 20/20 0.38
MC5R P33032 3/20 0.37
MC3R P41968 3/20 0.37
MC1R Q01726 2/20 0.37

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3033856 0.88 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL13393509 0.86 MC4R (0.38) MC4RMC5RMC3RMC1R
SCHEMBL13393614 0.86 MC4R (0.40) MC4RMC5RMC3RMC1R
SCHEMBL13393510 0.83 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL13393609 0.83 SLC2A1 (0.39) MC4RMC5RMC3RMC1R
SCHEMBL13393429 0.83 MC4R (0.40) MC4RMC5RMC3RMC1R
SCHEMBL13393423 0.82 MC4R (0.38) MC4RMC5RMC3RMC1R
SCHEMBL13393518 0.82 MC4R (0.40) MC4RMC5RMC3RMC1R
SCHEMBL12989662 0.81 MC4R (0.39) MC4RMC5RMC3RMC1R
SCHEMBL13393511 0.81 MC4R (0.44) MC4RMC5RMC3RMC1R

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP disclosed