SCHEMBL8967681

SCHEMBL8967681

CN(CC12CCCN1CCC2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
AR P10275 1/20 0.36
PKM P14618 2/20 0.35
ACHE P22303 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
OPRK1 P41145 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8967753 0.88 SIGMAR1 (0.41) SIGMAR1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL8554443 0.85 CTSB (0.43) SIGMAR1LMNAMAPTSMN1; SMN2AR
SCHEMBL8555244 0.79 CTSB (0.39) SIGMAR1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL8967712 0.76 MAPT (0.47) SIGMAR1LMNARAB9AMAPTAR
SCHEMBL9281848 0.76 MAPT (0.37) LMNAMAPTSMN1; SMN2ARPKM
SCHEMBL8967541 0.75 SIGMAR1 (0.37) SIGMAR1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8967666 0.74 ALDH1A1 (0.45) SIGMAR1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL8555791 0.71 MAPT (0.47) LMNARAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8967651 0.70 SIGMAR1 (0.44) SIGMAR1RAB9APOLB
SCHEMBL8968118 0.69 RAB9A (0.35) SIGMAR1LMNARAB9AMAPTAR

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