SCHEMBL8967541

SCHEMBL8967541

CN(CC12CCCN1CCC2)c1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.37
OPRM1 P35372 5/20 0.34
KCNH2 Q12809 2/20 0.33
OPRK1 P41145 1/20 0.32
KRAS P01116 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
TACR1 P25103 1/20 0.31
FABP4 P15090 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
SCHEMBL8967876 0.80 SIGMAR1 (0.37) SIGMAR1OPRM1KCNH2OPRK1SLC6A2
SCHEMBL8967663 0.79 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2SLC6A2SLC6A4
SCHEMBL8967652 0.77 SIGMAR1 (0.41) SIGMAR1OPRM1KCNH2ALDH1A1HTR7
SCHEMBL8967681 0.75 SIGMAR1 (0.40) SIGMAR1OPRK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8967651 0.73 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2SLC6A2SLC6A4
SCHEMBL8967617 0.71 TUBB3 (0.38) SIGMAR1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8554443 0.69 CTSB (0.43) SIGMAR1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8967609 0.68 SIGMAR1 (0.40) SIGMAR1OPRM1KCNH2SLC6A2SLC6A4
SCHEMBL25138879 0.65 CSNK1D (0.46) SIGMAR1ALDH1A1SMN1; SMN2HTR7KDM4E
SCHEMBL8967665 0.64 SMN1; SMN2 (0.39) SIGMAR1OPRM1KCNH2SLC6A2SLC6A4

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