SCHEMBL13288488

SCHEMBL13288488

NC[C@@H]1CCCc2cc(Sc3cccc(F)c3)cc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.46
KDM4C Q9H3R0 4/20 0.43
BPTF Q12830 1/20 0.36

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
Phosphoric Acid SCHEMBL642612 0.94 KDM4C (0.44) HTR6KDM4C
SCHEMBL10110856 0.89 HTR6 (0.40) HTR6KDM4C
SCHEMBL10110864 0.88 KDM4C (0.43) HTR6KDM4C
Hydrochloric Acid SCHEMBL641981 0.88 HTR6 (0.40) HTR6KDM4C
SCHEMBL10110840 0.84 HTR6 (0.60) HTR6KDM4C
SCHEMBL17362249 0.84 HTR6 (0.60) HTR6KDM4C
Hydrochloric Acid SCHEMBL641914 0.83 HTR6 (0.59) HTR6KDM4C
SCHEMBL643298 0.83 HTR6 (0.66) HTR6KDM4C
SCHEMBL643297 0.83 HTR6 (0.66) HTR6KDM4C
SCHEMBL645874 0.80 KDM4C (0.43) HTR6KDM4C

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
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed