SCHEMBL4649093

SCHEMBL4649093

CC(C)COC(=O)N1CCC(Nc2cc(Br)c(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
GPR174 Q9BXC1 4/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 2/20 0.40
HCAR3 P49019 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
ALDH3A1 P30838 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 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
SCHEMBL4648002 0.90 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648849 0.89 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647377 0.88 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648881 0.84 HDAC2 (0.43) MAPTALDH1A1LMNAGPR119GAA
SCHEMBL4648329 0.83 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647785 0.82 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4750089 0.82 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4661126 0.82 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4649370 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4646565 0.81 MAPT (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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