SCHEMBL8967505

SCHEMBL8967505

O=CN(CC12CCCN1CCC2)c1ccc(F)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.35
OPRM1 P35372 4/20 0.35
KCNH2 Q12809 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CHRNA7 P36544 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8968097 0.84 SIGMAR1 (0.35) SIGMAR1OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL8968027 0.83 TUBB3 (0.36) SIGMAR1ALDH1A1TSHRFTOLMNA
SCHEMBL8967635 0.81 SLC6A4 (0.43) SIGMAR1OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL8967955 0.77 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL8967593 0.74 ALDH1A1 (0.33) SIGMAR1OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL8967658 0.70 SIGMAR1 (0.41) SIGMAR1OPRM1KCNH2ALDH1A1TSHR
SCHEMBL8967761 0.69 SIGMAR1 (0.40) SIGMAR1OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL8967651 0.67 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL8554443 0.65 CTSB (0.43) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL8967617 0.65 TUBB3 (0.38) SIGMAR1ALDH1A1FTOLMNAMEN1

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