SCHEMBL4661126

SCHEMBL4661126

Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OCC(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
NOS2 P35228 4/20 0.47
NOS1 P29475 3/20 0.47
NOS3 P29474 1/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 3/20 0.44
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
GLA P06280 1/20 0.42
GRK6 P43250 2/20 0.41

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
SCHEMBL4637044 0.91 MAPT (0.61) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4750089 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648002 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647785 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL14247651 0.83 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4659793 0.83 NOS2 (0.50) MAPTALDH1A1SMN1; SMN2LMNANOS2
SCHEMBL4647157 0.83 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL606162 0.82 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8672067 0.82 MAPT (0.69) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647282 0.82 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2008119711-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119714-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119716-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-2008119717-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119719-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-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO disclosed