SCHEMBL8967939

SCHEMBL8967939

O=[N+]([O-])c1ccccc1NCCC12CCCN1CCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.50
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.40

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
Hydrochloric Acid SCHEMBL8968053 0.99 KAT2B (0.51) KAT2BMAPTSMN1; SMN2NPC1RAB9A
Fumaric Acid SCHEMBL8968115 0.91 NPC1 (0.43) KAT2BMAPTSMN1; SMN2NPC1RAB9A
Maleic Acid SCHEMBL8967637 0.91 NPC1 (0.43) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8555791 0.87 MAPT (0.47) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8556050 0.85 CTSB (0.43) MAPTSMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL8967549 0.83 MAPT (0.43) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL8967641 0.77 SCN5A (0.42) MAPTLMNAGAAIDO1
SCHEMBL16690122 0.77 KAT2B (0.56) KAT2BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8967906 0.76 ICMT (0.46) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL8555094 0.76 HRH3 (0.38) MAPTSMN1; SMN2RAB9AALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US claimed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP claimed
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US disclosed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP disclosed