SCHEMBL8555094

SCHEMBL8555094

O=[N+]([O-])c1c(NCCC23CCCN2CCC3)cnc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MET P08581 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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 0.89 RAB9A (0.38) SCN5ASCN9AMEN1KMT2AMET
SCHEMBL8554881 0.78 ALDH1A1 (0.35) SCN5ASCN9AALDH1A1MAPTPKM
SCHEMBL8556050 0.77 CTSB (0.43) HRH3ALDH1A1MEN1KMT2AMAPT
SCHEMBL8967939 0.76 KAT2B (0.50) ALDH1A1MEN1KMT2AMAPTPKM
Hydrochloric Acid SCHEMBL8968053 0.75 KAT2B (0.51) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8555439 0.74 RAB9A (0.38) HRH3ALDH1A1MEN1KMT2AMAPT
SCHEMBL8554926 0.70 HSP90AA1 (0.42) SCN5ASCN9AALDH1A1MEN1KMT2A
SCHEMBL8967649 0.70 CA12 (0.49) HRH3ALDH1A1MEN1KMT2AMAPT
Fumaric Acid SCHEMBL8968115 0.69 NPC1 (0.43) ALDH1A1MEN1KMT2AMAPTPKM
Maleic Acid SCHEMBL8967637 0.69 NPC1 (0.43) ALDH1A1MEN1KMT2AMAPTPKM

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