SCHEMBL47113

SCHEMBL47113

COc1ccc(Nc2nc3cnc(C4OC(C)O4)cc3n2CCCN2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 16/20 0.52
NPC1 O15118 1/20 0.44
MC5R P33032 2/20 0.42
MC3R P41968 2/20 0.42
MC1R Q01726 2/20 0.42
BCHE P06276 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL15078325 0.83 MC4R (0.57) MC4RNPC1MC5RMC3RMC1R
SCHEMBL41222 0.80 MC4R (0.60) MC4RNPC1MC5RMC3RMC1R
SCHEMBL15078321 0.79 MC4R (0.55) MC4RNPC1MC5RMC3RMC1R
SCHEMBL47157 0.78 MC4R (0.51) MC4RNPC1MC5RMC3RMC1R
SCHEMBL47154 0.78 MC4R (0.49) MC4RNPC1MC5RMC3RMC1R
SCHEMBL40944 0.78 MC4R (0.57) MC4RNPC1MC5RMC3RMC1R
SCHEMBL46875 0.75 MC4R (0.65) MC4RMC5RMC3RMC1RBCHE
SCHEMBL47152 0.75 MC4R (0.62) MC4RMC5RMC3RMC1RBCHE
SCHEMBL47195 0.75 MC4R (0.64) MC4RMC5RMC3RMC1RBCHE
SCHEMBL47114 0.74 MC4R (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO disclosed