SCHEMBL13370287

SCHEMBL13370287

Nc1ccc(N2CCOC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
GAA P10253 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HTT P42858 4/20 0.50
KMT2A Q03164 4/20 0.50
ALOX15 P16050 4/20 0.50
MEN1 O00255 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 3/20 0.50
USP2 O75604 2/20 0.50
LGMN Q99538 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PIK3R1 P27986 1/20 0.50
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL20631 0.89 MAPT (0.61) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL19221733 0.88 MAPT (0.57) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL20631313 0.87 LMNA (0.61) MAPTALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL16209945 0.87 MAPT (0.65) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL14320289 0.83 PIK3R1 (0.59) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL4386393 0.82 MAPT (0.64) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL28286793 0.79 AKR1C3 (0.54) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL4689823 0.79 ALDH1A1 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL19648927 0.79 MAPT (0.50) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL30706470 0.79 ADRA2C (0.53) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP disclosed