SCHEMBL8701072

SCHEMBL8701072

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.36
HTR6 P50406 14/20 0.36
HTR1A P08908 12/20 0.36
DRD2 P14416 12/20 0.36
HTR2A P28223 12/20 0.36
RORC P51449 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL8589168 0.83 HTR7 (0.36) HTR7HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL8716045 0.82 HTR7 (0.35) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8708955 0.82 HTR2A (0.35) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8713773 0.82 ACHE (0.34) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8718329 0.76 ALDH1A1 (0.33) HTR7HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7872294 0.75 ALDH1A1 (0.33) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8716559 0.75 ALDH1A1 (0.35) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL7871633 0.74 EPHX1 (0.35) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8712584 0.73 ALDH1A1 (0.32) RORCCNR1CNR2
Hydrochloric Acid SCHEMBL7863539 0.73 EPHX1 (0.34) HTR7HTR6HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998047901-A1 PROCESS FOR PRODUCING TRICYCLIC COMPOUNDS AND THEIR INTERMEDIATES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed