SCHEMBL8713773

SCHEMBL8713773

Cc1nc2cccc3n2c1CN(CCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C3=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HTR2A P28223 10/20 0.33
HTR1A P08908 9/20 0.33
DRD2 P14416 9/20 0.33
HTR7 P34969 9/20 0.33
HTR6 P50406 9/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RORC P51449 1/20 0.32
HTR2C P28335 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 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
SCHEMBL8708955 0.83 HTR2A (0.35) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL8701072 0.82 HTR7 (0.36) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8712933 0.81 ACHE (0.35) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL7863415 0.78 HTR2A (0.35) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL8718329 0.76 ALDH1A1 (0.33) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8716559 0.75 ALDH1A1 (0.35) ACHEHTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL7872294 0.75 ALDH1A1 (0.33) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL8713635 0.73 ALDH1A1 (0.33) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7870234 0.73 HDAC3 (0.32) HTR2AHTR1ADRD2HTR7HTR6
Hydrochloric Acid SCHEMBL7871669 0.72 HDAC3 (0.32) HTR2AHTR1ADRD2HTR7HTR6

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
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed