SCHEMBL3634293

SCHEMBL3634293

COc1ccc(N2CCN(CC(O)COc3ccccc3NC(N)=O)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
TP53 P04637 2/20 0.66
HTT P42858 2/20 0.65
NPY1R P25929 1/20 0.65
NPY2R P49146 1/20 0.65
ABCB1 P08183 4/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.62
KCNH2 Q12809 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL3641483 0.90 MAPT (0.62) MAPTTP53ABCB1MEN1KMT2A
SCHEMBL3641993 0.89 ABCB1 (0.68) MAPTABCB1MEN1KMT2AKCNH2
SCHEMBL3637761 0.88 MAPT (0.60) MAPTABCB1MEN1KMT2AMAPK1
SCHEMBL8609331 0.86 MAPT (0.66) MAPTTP53HTTABCB1MEN1
SCHEMBL2017556 0.85 KCNH2 (0.81) MAPTHTTABCB1MEN1KMT2A
SCHEMBL2017559 0.85 KCNH2 (0.81) MAPTHTTABCB1MEN1KMT2A
Hydrochloric Acid SCHEMBL11095607 0.81 MEN1 (0.53) MAPTTP53HTTNPY1RNPY2R
SCHEMBL28632862 0.80 MAPK1 (0.91) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL11826883 0.80 MAPT (0.80) MAPTTP53HTTNPY1RNPY2R
SCHEMBL2021188 0.79 KCNH2 (0.81) MAPTHTTABCB1MEN1KMT2A

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-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO disclosed