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SCHEMBL2225830

SCHEMBL2225830

Cc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ MAP2K1 Q02750 18/20 0.41
▸ RAF1 P04049 15/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ NTRK1 P04629 1/20 0.40

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
SCHEMBL2225831 1.00 HTR6 (0.43) HTR6BCHEMAP2K1RAF1CYP3A4
SCHEMBL25693615 0.91 HTR6 (0.45) HTR6BCHECYP3A4
SCHEMBL13823499 0.90 MAP2K1 (0.43) MAP2K1RAF1CYP3A4NTRK1
SCHEMBL25244785 0.83 HTR6 (0.38) HTR6BCHE
SCHEMBL30480400 0.83 HTR6 (0.38) HTR6BCHE
SCHEMBL25700356 0.83 HTR6 (0.38) HTR6BCHE
SCHEMBL25283307 0.83 HTR6 (0.38) HTR6BCHE
SCHEMBL27433422 0.83 HTR6 (0.46) HTR6BCHE
SCHEMBL27432817 0.83 HTR6 (0.46) HTR6BCHECYP3A4
SCHEMBL25246864 0.83 HTR6 (0.42) HTR6BCHE

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
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 — — EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — WO disclosed