SCHEMBL8967663

SCHEMBL8967663

CN(CC12CCCN1CCC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.47
OPRM1 P35372 8/20 0.43
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 4/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR7 P34969 1/20 0.35
KDM1A O60341 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP2B6 P20813 1/20 0.35
PRCP P42785 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8967652 0.87 SIGMAR1 (0.41) SIGMAR1OPRM1KDM4EKCNH2HTR7
SCHEMBL8967609 0.84 SIGMAR1 (0.40) SIGMAR1OPRM1KDM4EKCNH2SLC6A2
SCHEMBL8967541 0.79 SIGMAR1 (0.37) SIGMAR1OPRM1KDM4EKCNH2SLC6A2
SCHEMBL8967712 0.78 MAPT (0.47) SIGMAR1KCNH2MEN1KMT2ARAB9A
SCHEMBL8967955 0.76 SIGMAR1 (0.47) SIGMAR1OPRM1KDM4EKCNH2SLC6A2
SCHEMBL8968120 0.76 SLC6A3 (0.42) SIGMAR1KDM4EKCNH2SLC6A2SLC6A4
SCHEMBL21337170 0.75 SIGMAR1 (0.67) SIGMAR1OPRM1KCNH2KMT2ARAB9A
SCHEMBL8967651 0.74 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2SLC6A2SLC6A4
SCHEMBL8968081 0.74 CHEK1 (0.46) SIGMAR1OPRM1KDM4EKCNH2KDM1A
SCHEMBL8967681 0.73 SIGMAR1 (0.40) SIGMAR1KMT2ARAB9A

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