SCHEMBL8555439

SCHEMBL8555439

O=[N+]([O-])c1cnc2ccccc2c1NCC12CCCN1CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 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
SCHEMBL8556303 0.83 RAB9A (0.38) RAB9AMEN1KMT2AKDRLMNA
SCHEMBL1140961 0.81 MAPT (0.39) RAB9ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL8554676 0.81 RAB9A (0.40) RAB9AMEN1MAPTKMT2AALDH1A1
SCHEMBL1140910 0.81 MAPT (0.39) RAB9ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL8554096 0.81 HRH3 (0.39) RAB9AHRH3ALDH1A1ADRA2BADRA2C
SCHEMBL1895510 0.81 CHRM2 (0.41) RAB9ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL1141072 0.80 MAPT (0.38) RAB9ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL1140923 0.80 MEN1 (0.38) RAB9ASMN1; SMN2MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL8558959 0.80 HRH3 (0.38) RAB9AHRH3ALDH1A1KCNH2
SCHEMBL8554050 0.78 RAB9A (0.42) RAB9ASMN1; SMN2MEN1MAPTKMT2A

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 7 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
JP-6184152-A None JP disclosed
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
JP-H06184152-A NEW COMPOUND, ITS PRODUCTION AND BRAIN FUNCTION IMPROVER USING THE SAME AS MAIN INGREDIENT SANWA KAGAKU KENKYUSHO CO LTD 1994-07-05 JP disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed