SCHEMBL4648002

SCHEMBL4648002

Cc1cc(NC2CCN(C(=O)OCC(C)C)CC2)c([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GPR174 Q9BXC1 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR3 P49019 1/20 0.39
TSHR P16473 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL4649093 0.90 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648849 0.90 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4750089 0.89 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4649370 0.88 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647157 0.87 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647785 0.86 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647282 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3657098 0.85 NOS2 (0.42) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL4661126 0.84 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647277 0.84 HDAC2 (0.43) MAPTALDH1A1LMNAGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119720-A1 1-(1-CYCLOBUTYL-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-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed