SCHEMBL13436727

SCHEMBL13436727

O=C1Nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2CO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.54
HDAC6 Q9UBN7 2/20 0.50
PIK3CA P42336 2/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
ELANE P08246 2/20 0.45
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
SYK P43405 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
SCHEMBL3477976 0.86 FAAH (0.54) FAAHHDAC6PIK3CACYP11B1CYP11B2
SCHEMBL3477848 0.83 FAAH (0.58) FAAHHDAC6PIK3CAELANE
SCHEMBL13436723 0.81 FAAH (0.58) FAAHHDAC6PIK3CAELANE
SCHEMBL3477494 0.78 FAAH (0.60) FAAHHDAC6PIK3CAELANE
SCHEMBL3475662 0.77 FAAH (0.61) FAAHHDAC6PIK3CAELANE
SCHEMBL3477397 0.77 FAAH (0.58) FAAHHDAC6PIK3CAELANE
SCHEMBL3477307 0.77 FAAH (0.66) FAAHHDAC6PIK3CAELANE
SCHEMBL3475819 0.76 FAAH (0.65) FAAHHDAC6PIK3CAELANE
SCHEMBL3477409 0.76 FAAH (0.71) FAAHHDAC6PIK3CAELANE
SCHEMBL13436640 0.75 FAAH (0.61) 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 1 patent. 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