SCHEMBL8552830

SCHEMBL8552830

O=[N+]([O-])c1c(NCC23CCCN2CCC3)c[n+]([O-])c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SCN9A Q15858 8/20 0.34
SCN5A Q14524 5/20 0.34
ALDH1A1 P00352 1/20 0.32
CHRNA7 P36544 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
HCN1 O60741 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1I2 O75469 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL8554881 0.90 ALDH1A1 (0.35) RAB9ALMNATHRBSCN9ASCN5A
SCHEMBL8554926 0.80 HSP90AA1 (0.42) RAB9ALMNATHRBSCN9ASCN5A
SCHEMBL8556303 0.77 RAB9A (0.38) RAB9ALMNATHRBSCN9ASCN5A
SCHEMBL8554050 0.77 RAB9A (0.42) RAB9ALMNATHRBALDH1A1CHRNA7
SCHEMBL9770616 0.75 ALDH1A1 (0.44) RAB9ALMNAALDH1A1HTTMEN1
SCHEMBL8555066 0.75 CTSB (0.45) RAB9ALMNATHRBCHRNA7MEN1
SCHEMBL8555791 0.74 MAPT (0.47) RAB9ALMNATHRBALDH1A1HTT
SCHEMBL8553639 0.73 TDP1 (0.44) RAB9ALMNATHRBSCN9ASCN5A
SCHEMBL8552834 0.71 NPC1 (0.31) RAB9ALMNAALDH1A1HTT
SCHEMBL8554676 0.69 RAB9A (0.40) RAB9ALMNATHRBALDH1A1CHRNA7

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 5 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 claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
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
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed