SCHEMBL4746197

SCHEMBL4746197

CCCOC1CCCC(N2CCC(Nc3cc(C)ccc3[N+](=O)[O-])CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
GRK6 P43250 2/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4746193 1.00 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4746191 1.00 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL14042382 0.89 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL607453 0.89 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL607469 0.89 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4746516 0.89 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL14041805 0.89 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL607452 0.89 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4748672 0.85 MAPT (0.37) MAPTMAPK1CYP1A2CYP2C19ALDH1A1
SCHEMBL4748675 0.85 MAPT (0.37) MAPTMAPK1CYP1A2CYP2C19ALDH1A1

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-2008119715-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed