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Sugi Predict / Compounds / SCHEMBL2276584

SCHEMBL2276584

SCHEMBL2276584

CC(C)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.47
▸ BCHE P06276 1/20 0.41
▸ NR3C1 P04150 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ GPR119 Q8TDV5 10/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ TNK2 Q07912 1/20 0.37
▸ MET P08581 1/20 0.37

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
SCHEMBL2224575 0.95 HTR6 (0.46) HTR6BCHENR3C1CYP3A4GPR119
SCHEMBL29460624 0.90 HTR6 (0.43) HTR6BCHE
SCHEMBL2272937 0.90 HTR6 (0.43) HTR6BCHE
SCHEMBL25284995 0.90 HTR6 (0.43) HTR6BCHE
SCHEMBL25240038 0.90 HTR6 (0.43) HTR6BCHE
SCHEMBL2276483 0.89 HTR6 (0.48) HTR6BCHECYP3A4GPR119TGFBR1
SCHEMBL2226749 0.88 HTR6 (0.47) HTR6BCHECYP3A4GPR119TGFBR1
SCHEMBL2274395 0.88 HTR6 (0.49) HTR6BCHECYP3A4GPR119TGFBR1
SCHEMBL2276678 0.88 HTR6 (0.48) HTR6BCHECYP3A4GPR119TGFBR1
SCHEMBL9953348 0.88 HTR6 (0.47) HTR6BCHECYP3A4GPR119TGFBR1

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