SCHEMBL4748759

SCHEMBL4748759

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL14041862 1.00 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL603372 0.89 CHRM2 (0.48) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL604616 0.89 CHRM2 (0.48) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL603371 0.89 CHRM2 (0.48) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL4749128 0.84 CHRM2 (0.39) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL4749127 0.84 CHRM2 (0.39) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL4748914 0.84 CHRM2 (0.39) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL13073960 0.82 MAPT (0.46) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL606183 0.81 CHRM4 (0.51) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL606434 0.81 CHRM4 (0.51) MAPTMAPK1CYP1A2CYP2C9CYP2C19

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