SCHEMBL8555791

SCHEMBL8555791

O=[N+]([O-])c1ccccc1NCC12CCCN1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 4/20 0.47
KAT2B Q92831 2/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP7 P55210 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8553639 0.87 TDP1 (0.44) MAPTL3MBTL1MAPK1RAB9ASMN1; SMN2
SCHEMBL8967939 0.87 KAT2B (0.50) MAPTL3MBTL1MAPK1KAT2BRAB9A
Hydrochloric Acid SCHEMBL8968053 0.86 KAT2B (0.51) MAPTL3MBTL1MAPK1KAT2BRAB9A
SCHEMBL8555066 0.85 CTSB (0.45) MAPTRAB9ASMN1; SMN2MEN1KMT2A
Maleic Acid SCHEMBL8967637 0.79 NPC1 (0.43) MAPTL3MBTL1MAPK1KAT2BRAB9A
Fumaric Acid SCHEMBL8968115 0.79 NPC1 (0.43) MAPTL3MBTL1MAPK1KAT2BRAB9A
SCHEMBL8554926 0.78 HSP90AA1 (0.42) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL8554676 0.78 RAB9A (0.40) MAPTL3MBTL1RAB9AMEN1KMT2A
SCHEMBL8554050 0.76 RAB9A (0.42) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8553021 0.76 LMNA (0.52) MAPTRAB9AALDH1A1LMNATHRB

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