SCHEMBL4646565

SCHEMBL4646565

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
EPHX2 P34913 2/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
HCAR3 P49019 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
KIT P10721 1/20 0.36
STAT3 P40763 1/20 0.36
ALDH3A1 P30838 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
SCHEMBL4649370 0.90 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647377 0.89 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648849 0.88 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647785 0.87 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4646560 0.86 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647964 0.85 EPHX2 (0.40) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL4750089 0.85 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647625 0.83 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648002 0.81 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4649093 0.81 MAPT (0.48) 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