SCHEMBL4748672

SCHEMBL4748672

CCCO[C@@H]1CCC[C@H](N2CCC(Nc3cc(C)c(F)cc3[N+](=O)[O-])CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL4748676 1.00 MAPT (0.37) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4748675 1.00 MAPT (0.37) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL600829 0.89 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL600828 0.89 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL600833 0.89 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4746193 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4746197 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4746191 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4786529 0.85 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4786542 0.85 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3

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-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
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