SCHEMBL8967724

SCHEMBL8967724

CN(CCC12CCCN1CCC2)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 2/20 0.37
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 1/20 0.34
SLC6A4 P31645 3/20 0.34
DRD2 P14416 1/20 0.34
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8968120 0.86 SLC6A3 (0.42) SIGMAR1SLC6A3SLC6A2HRH3KCNH2
SCHEMBL8967593 0.81 ALDH1A1 (0.33) SIGMAR1SLC6A3SLC6A2HRH3KCNH2
SCHEMBL8967665 0.78 SMN1; SMN2 (0.39) SIGMAR1SLC6A3SLC6A2KCNH2SLC6A4
SCHEMBL8967609 0.77 SIGMAR1 (0.40) SIGMAR1SLC6A3SLC6A2KCNH2SLC6A4
SCHEMBL8967753 0.76 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1
SCHEMBL8968097 0.75 SIGMAR1 (0.35) SIGMAR1SLC6A3SLC6A2KCNH2SLC6A4
SCHEMBL8968081 0.71 CHEK1 (0.46) SIGMAR1HRH3KCNH2KDM4E
SCHEMBL8967649 0.70 CA12 (0.49) HRH3KCNH2KDM4EALDH1A1TSHR
SCHEMBL9313557 0.70 SIGMAR1 (0.52) SIGMAR1CYP2D6ALDH1A1CYP1A2CYP2C19
SCHEMBL5931116 0.69 SIGMAR1 (0.50) SIGMAR1CYP2D6ALDH1A1TSHRCYP1A2

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