SCHEMBL4557277

SCHEMBL4557277

O=C1OC2(CCN(c3ccc(-c4noc(C(F)(F)F)n4)cn3)CC2)CN1c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
HDAC6 Q9UBN7 19/20 0.48
HDAC8 Q9BY41 14/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL4555911 0.86 DGAT1 (0.44) DGAT1HDAC1
SCHEMBL4556993 0.78 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC5
SCHEMBL31675210 0.72 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC5
SCHEMBL29877509 0.71 HDAC6 (0.51) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918111 0.71 HDAC6 (0.63) HDAC6HDAC8HDAC1HDAC5
Trifluoroacetic Acid SCHEMBL31675215 0.70 HDAC6 (0.51) HDAC6HDAC8HDAC1HDAC5
SCHEMBL10146472 0.69 DGAT1 (0.72) DGAT1
SCHEMBL14918283 0.69 HDAC4 (0.58) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918816 0.69 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC5
SCHEMBL29877917 0.69 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO claimed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed