SCHEMBL4746516

SCHEMBL4746516

COC1CCCC(N2CCC(Nc3cc(C)ccc3[N+](=O)[O-])CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
GRK6 P43250 2/20 0.37
HCAR3 P49019 1/20 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
SCHEMBL14041805 1.00 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL14042382 1.00 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4746193 0.89 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4746197 0.89 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL4746191 0.89 MAPT (0.43) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL13036670 0.88 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL604219 0.88 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL604220 0.88 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL607051 0.86 MAPT (0.47) MAPTMAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL10264194 0.86 MAPT (0.47) MAPTMAPK1CYP1A2CYP2C19CYP2C9

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