SCHEMBL11033130

SCHEMBL11033130

c1ccc(N2CCN(CCOc3ccc4c(c3)OCO4)CC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.69
SLC6A2 P23975 1/20 0.69
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
DRD3 P35462 6/20 0.57
DRD2 P14416 5/20 0.57
HTR1A P08908 3/20 0.57
HTR2A P28223 3/20 0.57
HTR7 P34969 3/20 0.57
DRD1 P21728 2/20 0.57
ADRA2C P18825 1/20 0.57

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
SCHEMBL5425425 0.87 MEN1 (0.64) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL5431884 0.83 MAPT (0.88) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL5438985 0.81 MEN1 (0.73) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL8879725 0.79 MEN1 (0.75) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL10726259 0.79 KDM4E (0.53) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL5435317 0.78 MAPT (0.78) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL2216839 0.78 MAPT (1.00) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL5439549 0.77 MAPT (0.69) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL5424036 0.77 MAPT (0.69) SLC6A4SLC6A2MEN1CYP1A2CYP3A4
SCHEMBL5430624 0.77 MAPT (0.69) SLC6A4SLC6A2MEN1CYP1A2CYP3A4

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
JP-57114588-A None JP disclosed
JP-59007120-A None JP disclosed
JP-S597120-A HYPOTENSIVE AGENT MITSUBISHI CHEM IND LTD 1984-01-14 JP disclosed
JP-S57114588-A (OMEGA-PIPERAZINYLALKOXY)ALKYLENEDIOXYBENZENE AND ITS ACID ADDITION SALT MITSUBISHI CHEM IND LTD 1982-07-16 JP disclosed