SCHEMBL3475989

SCHEMBL3475989

OCc1cccc(-c2ccc3oc(NC4CCCCC4)nc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.60
HDAC6 Q9UBN7 1/20 0.54
PIK3CA P42336 1/20 0.51
ELANE P08246 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
USP30 Q70CQ3 1/20 0.41
OPRK1 P41145 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
SCHEMBL3476650 0.86 FAAH (0.63) FAAHHDAC6PIK3CAELANEUSP30
SCHEMBL3477307 0.85 FAAH (0.66) FAAHHDAC6PIK3CAELANE
SCHEMBL3476251 0.81 FAAH (0.60) FAAHHDAC6PIK3CAELANE
SCHEMBL13436763 0.80 FAAH (0.76) FAAHHDAC6PIK3CAELANE
SCHEMBL3477061 0.80 FAAH (0.58) FAAHHDAC6PIK3CAELANE
SCHEMBL3475819 0.79 FAAH (0.65) FAAHHDAC6PIK3CAELANE
SCHEMBL3477409 0.79 FAAH (0.71) FAAHHDAC6PIK3CAELANE
SCHEMBL13436642 0.78 FAAH (0.57) FAAHHDAC6PIK3CAELANE
SCHEMBL3477428 0.78 FAAH (0.64) FAAHHDAC6PIK3CAELANE
SCHEMBL13436725 0.77 FAAH (0.71) FAAHHDAC6PIK3CAELANE

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