SCHEMBL4647625

SCHEMBL4647625

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
DCTPP1 Q9H773 1/20 0.40
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
HCAR3 P49019 1/20 0.38
S1PR1 P21453 1/20 0.37
KIT P10721 1/20 0.37
ALDH3A1 P30838 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EP300 Q09472 1/20 0.36
HIF1A Q16665 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
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
SCHEMBL4647157 0.88 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4750089 0.88 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4647619 0.86 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4647785 0.86 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4648849 0.85 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4647178 0.85 NOS2 (0.40) MAPTALDH1A1LMNASMN1; SMN2NOS1
SCHEMBL4646565 0.83 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4648002 0.80 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4661126 0.80 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4649093 0.80 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2POLB

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