SCHEMBL8637458

SCHEMBL8637458

Nc1ccccc1OCC(O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
HSP90AB1 P08238 2/20 0.61
MAPT P10636 7/20 0.60
HTT P42858 3/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
LMNA P02545 6/20 0.55
ABCB1 P08183 5/20 0.52
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HIF1A Q16665 2/20 0.50
USP2 O75604 2/20 0.50
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.50
ADRB1 P08588 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
SCHEMBL20869573 0.84 L3MBTL1 (0.74) L3MBTL1HSP90AB1MAPTHTTNPY1R
SCHEMBL15709049 0.83 L3MBTL1 (1.00) L3MBTL1HSP90AB1MAPTHTTNPY1R
SCHEMBL20682737 0.83 L3MBTL1 (1.00) L3MBTL1HSP90AB1MAPTHTTNPY1R
SCHEMBL11812855 0.82 L3MBTL1 (0.62) L3MBTL1HSP90AB1MAPTHTTNPY1R
SCHEMBL8611873 0.81 MAPT (0.73) HSP90AB1MAPTHTTLMNAABCB1
SCHEMBL11213511 0.79 MAPT (0.60) L3MBTL1HSP90AB1MAPTHTTNPY1R
SCHEMBL8610306 0.79 MAPT (0.70) L3MBTL1MAPTHTTLMNAABCB1
SCHEMBL10587219 0.76 HSP90AB1 (0.56) L3MBTL1HSP90AB1MAPTHTTLMNA
SCHEMBL9700301 0.76 L3MBTL1 (0.84) L3MBTL1MAPTHTTNPY1RNPY2R
SCHEMBL29191114 0.76 HSP90AB1 (0.62) L3MBTL1HSP90AB1MAPTHTTNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833639-A1 PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1998-04-08 EP disclosed
US-5614526-A IN TREATING DISORDERS OF THE DOPAMINE SYSTEM HOFFMANN-LA ROCHE INC. (US) 1997-03-25 US disclosed
WO-1996041630-A1 PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1996-12-27 WO disclosed