SCHEMBL8552840

SCHEMBL8552840

CNc1c(C23CCCN2CCC3)c([N+](=O)[O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 2/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CYP2B6 P20813 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
PRCP P42785 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8624424 0.76 EGFR (0.39) MAPTKDM4EHTTRAB9ANPSR1
SCHEMBL8552834 0.66 NPC1 (0.31) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL8552830 0.65 RAB9A (0.37) HTTRAB9ALMNAKMT2ASIGMAR1
SCHEMBL8554881 0.64 ALDH1A1 (0.35) MAPTRAB9ALMNAGAA
SCHEMBL8554052 0.60 LMNA (0.37) MAPTNPC1RAB9ALMNAPOLB
SCHEMBL8554050 0.60 RAB9A (0.42) MAPTHTTRAB9ALMNAPOLB
SCHEMBL9770602 0.59 CTSB (0.49) MAPTKDM4EHTTLMNAPOLB
SCHEMBL8558985 0.57 TSHR (0.45) NPC1RAB9ALMNAPOLBKMT2A
SCHEMBL3342318 0.57 TSHR (0.51) MAPTKDM4ENPC1S1PR4S1PR1
SCHEMBL8566829 0.57 MAPT (0.43) MAPTKDM4ENPC1S1PR4S1PR1

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-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed