SCHEMBL27671990

SCHEMBL27671990

O=C(O)C1(C(=O)O)CN(CCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
HTR2A P28223 1/20 0.49
GRM2 Q14416 1/20 0.48
HSD11B1 P28845 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
CPB2 Q96IY4 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL28768678 0.98 MEN1 (0.50) SLC6A3MEN1KMT2AKCNH2SIGMAR1
SCHEMBL371723 0.81 GAA (0.56) MEN1KMT2AKCNH2SIGMAR1
SCHEMBL27691094 0.81 KCNH2 (0.48) SLC6A3MEN1KMT2AKCNH2SIGMAR1
SCHEMBL28766861 0.80 SPHK1 (0.55) SLC6A3MEN1KMT2A
SCHEMBL20267623 0.79 LTA4H (0.52) MEN1KMT2A
SCHEMBL28766506 0.74 SLC6A3 (0.50) SLC6A3SIGMAR1HTR1ADRD2CPB2
SCHEMBL8491426 0.73 SLC6A3 (0.54) SLC6A3MEN1KMT2AKCNH2SIGMAR1
SCHEMBL3566447 0.73 SLC6A3 (0.54) SLC6A3MEN1KMT2AKCNH2SIGMAR1
SCHEMBL6007978 0.73 GRM2 (0.47) SLC6A3MEN1KMT2AKCNH2SIGMAR1
SCHEMBL6007973 0.73 GRM2 (0.47) SLC6A3MEN1KMT2AKCNH2SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86102422-A The method for preparing azetidine derivatives 1987-01-28 CN disclosed