SCHEMBL8554050

SCHEMBL8554050

O=[N+]([O-])c1c2ccccc2c(NCC23CCCN2CCC3)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
S100A4 P26447 1/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL8554676 0.81 RAB9A (0.40) RAB9ALMNATHRBCHRNA7ALDH1A1
SCHEMBL8554926 0.81 HSP90AA1 (0.42) RAB9ALMNATHRBCHRNA7ALDH1A1
SCHEMBL8556303 0.78 RAB9A (0.38) RAB9ALMNATHRBMEN1KMT2A
SCHEMBL8555066 0.78 CTSB (0.45) RAB9ALMNATHRBCHRNA7CYP3A4
SCHEMBL8552830 0.77 RAB9A (0.37) RAB9ALMNATHRBCHRNA7ALDH1A1
SCHEMBL8555791 0.76 MAPT (0.47) RAB9ALMNATHRBALDH1A1CYP3A4
SCHEMBL8553639 0.75 TDP1 (0.44) RAB9ALMNATHRBCHRNA7ALDH1A1
SCHEMBL8553021 0.74 LMNA (0.52) RAB9ALMNATHRBCHRNA7ALDH1A1
SCHEMBL8554052 0.70 LMNA (0.37) RAB9ALMNACYP3A4GAAMEN1
SCHEMBL8555094 0.69 HRH3 (0.38) RAB9AALDH1A1MEN1KMT2AMAPT

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 6 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-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP 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