SCHEMBL4750089

SCHEMBL4750089

Cc1cc(NC2CCN(C(=O)OCC(C)C)CC2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
NOS1 P29475 4/20 0.42
NOS2 P35228 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
TSHR P16473 1/20 0.41
HCAR3 P49019 1/20 0.39
NOS3 P29474 2/20 0.39
GPR174 Q9BXC1 1/20 0.39
GAA P10253 1/20 0.39
KIT P10721 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL4647785 0.96 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648002 0.89 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647625 0.88 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4648849 0.88 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647157 0.87 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4647282 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4649370 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4646565 0.85 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4661126 0.84 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4750123 0.84 NOS2 (0.44) MAPTALDH1A1SMN1; SMN2LMNANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed