SCHEMBL8968097

SCHEMBL8968097

O=CN(CC12CCCN1CCC2)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 4/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
PER2 O15055 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31

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
SCHEMBL8967593 0.90 ALDH1A1 (0.33) SIGMAR1ALDH1A1KDM4ETSHRSLC6A2
SCHEMBL8967505 0.84 SIGMAR1 (0.35) SIGMAR1ALDH1A1TSHRSLC6A3KCNH2
SCHEMBL8968120 0.80 SLC6A3 (0.42) SIGMAR1ALDH1A1KDM4ETSHRSLC6A2
SCHEMBL8968027 0.80 TUBB3 (0.36) SIGMAR1ALDH1A1KDM4ETSHRLMNA
SCHEMBL8967955 0.78 SIGMAR1 (0.47) SIGMAR1KDM4ESLC6A2SLC6A3KCNH2
SCHEMBL8967724 0.75 SIGMAR1 (0.38) SIGMAR1ALDH1A1KDM4ETSHRSLC6A2
SCHEMBL8967658 0.73 SIGMAR1 (0.41) SIGMAR1ALDH1A1KDM4ETSHRKCNH2
SCHEMBL5012208 0.71 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2A
SCHEMBL5009898 0.71 SIGMAR1 (0.49) SIGMAR1ALDH1A1KDM4ETSHRKMT2A
SCHEMBL8967761 0.70 SIGMAR1 (0.40) SIGMAR1KDM4ESLC6A2SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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