SCHEMBL4647282

SCHEMBL4647282

Cc1cc(NC2CCN(C(=O)OCC(C)C)CC2)c([N+](=O)[O-])cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HCAR3 P49019 1/20 0.38
GPR174 Q9BXC1 1/20 0.37
TSHR P16473 1/20 0.37
NOS2 P35228 4/20 0.37
NOS1 P29475 3/20 0.37
NOS3 P29474 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 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
SCHEMBL4750089 0.86 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4648002 0.86 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4646792 0.85 KDM1A (0.42) MAPTALDH1A1LMNANOS2NOS1
SCHEMBL4647157 0.84 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4647785 0.84 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4647278 0.84 L3MBTL1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4649370 0.84 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4661126 0.82 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4648849 0.80 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL4649093 0.80 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAPOLB

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