SCHEMBL8967753

SCHEMBL8967753

CN(CCC12CCCN1CCC2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HCAR3 P49019 1/20 0.35
AR P10275 1/20 0.35
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 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
SCHEMBL8967681 0.88 SIGMAR1 (0.40) SIGMAR1ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL8968125 0.78 MAPT (0.51) SIGMAR1ALDH1A1LMNARAB9AMAPT
SCHEMBL8968118 0.77 RAB9A (0.35) SIGMAR1ALDH1A1LMNARAB9AMAPT
SCHEMBL8967645 0.77 RAB9A (0.35) SIGMAR1ALDH1A1LMNARAB9AMAPT
SCHEMBL8967665 0.75 SMN1; SMN2 (0.39) SIGMAR1ALDH1A1SMN1; SMN2POLBAR
SCHEMBL8967609 0.74 SIGMAR1 (0.40) SIGMAR1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL8554443 0.74 CTSB (0.43) SIGMAR1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8967939 0.72 KAT2B (0.50) ALDH1A1LMNASMN1; SMN2GAARAB9A
SCHEMBL754128 0.72 ALDH1A1 (0.46) SIGMAR1ALDH1A1POLBRAB9AMAPT
Hydrochloric Acid SCHEMBL8968053 0.72 KAT2B (0.51) ALDH1A1LMNASMN1; SMN2GAARAB9A

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