SCHEMBL3475828

SCHEMBL3475828

COC(C)c1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.66
PIK3CA P42336 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ELANE P08246 2/20 0.40
SSTR5 P35346 1/20 0.39
RPS6KA2 Q15349 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL3477409 0.83 FAAH (0.71) FAAHPIK3CAHDAC6ELANEAAK1
SCHEMBL3477307 0.81 FAAH (0.66) FAAHPIK3CAHDAC6ELANE
SCHEMBL14494690 0.81 HDAC6 (0.58) FAAHPIK3CAHDAC6ELANESSTR5
SCHEMBL3476787 0.81 FAAH (0.72) FAAHPIK3CAHDAC6ELANESSTR5
SCHEMBL3475819 0.80 FAAH (0.65) FAAHPIK3CAHDAC6ELANEAAK1
SCHEMBL3475830 0.80 FAAH (0.64) FAAHPIK3CAHDAC6SSTR5AAK1
SCHEMBL3476876 0.79 FAAH (0.77) FAAHPIK3CAHDAC6SSTR5RPS6KA2
SCHEMBL3476698 0.79 FAAH (1.00) FAAHPIK3CAHDAC6ELANESSTR5
SCHEMBL3476716 0.79 FAAH (0.63) FAAHPIK3CAHDAC6SSTR5
SCHEMBL3474867 0.78 FAAH (0.69) FAAHPIK3CAHDAC6ELANESSTR5

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-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed