SCHEMBL27435293

SCHEMBL27435293

COc1cccc(N2CCN(CC(N)c3ccccc3[N+](=O)[O-])CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPY1R P25929 1/20 0.50
HTT P42858 1/20 0.50
NPY2R P49146 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNH2 Q12809 2/20 0.48
DRD2 P14416 1/20 0.48
IGF1R P08069 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GFER P55789 1/20 0.45
CACNA1G O43497 1/20 0.45
HTR1A P08908 3/20 0.45

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
SCHEMBL27513808 0.83 IGF1R (0.54) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL27513125 0.81 KCNH2 (0.53) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL27432685 0.81 IGF1R (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6474949 0.81 HTR1A (0.52) MAPTNPY1RHTTNPY2RSMN1; SMN2
SCHEMBL27514492 0.80 HTR1A (0.62) MAPTMEN1KMT2AKCNH2DRD2
SCHEMBL27513126 0.80 HTR1A (0.54) MAPTMEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL27513445 0.80 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL27540736 0.79 HTR1A (0.53) MAPTMEN1KMT2ALMNAKCNH2
SCHEMBL27537453 0.79 KCNH2 (0.50) MAPTMEN1KMT2ASMN1; SMN2KCNH2
SCHEMBL27460384 0.79 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2KCNH2

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
CN-1127493-C 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2003-11-12 CN disclosed
CN-1265654-A 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2000-09-06 CN disclosed