SCHEMBL8967609

SCHEMBL8967609

CN(CCC12CCCN1CCC2)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.40
TMEM97 Q5BJF2 2/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 2/20 0.37
HTR7 P34969 3/20 0.36
KCNH2 Q12809 2/20 0.36
ICMT O60725 1/20 0.35
KDM1A O60341 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP3 Q96P20 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 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
SCHEMBL8967663 0.84 SIGMAR1 (0.47) SIGMAR1TMEM97KDM4EOPRM1HTR7
SCHEMBL8968125 0.79 MAPT (0.51) SIGMAR1HTR7ALDH1A1MAPTRAB9A
SCHEMBL8967761 0.78 SIGMAR1 (0.40) SIGMAR1KDM4EOPRM1KCNH2RAB9A
SCHEMBL8967724 0.77 SIGMAR1 (0.38) SIGMAR1KDM4EKCNH2ALDH1A1SLC6A2
SCHEMBL8967665 0.76 SMN1; SMN2 (0.39) SIGMAR1OPRM1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL8967753 0.74 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8967652 0.73 SIGMAR1 (0.41) SIGMAR1KDM4EOPRM1HTR7KCNH2
SCHEMBL11044440 0.69 CA12 (0.50) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL4928468 0.68 SIGMAR1 (0.58) SIGMAR1HTR7KDM1ASLC6A3
Hydrochloric Acid SCHEMBL10841191 0.68 SIGMAR1 (0.44) SIGMAR1KDM4EOPRM1MEN1KMT2A

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