SCHEMBL3477976

SCHEMBL3477976

O=C1CCc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.54
HDAC6 Q9UBN7 1/20 0.50
PIK3CA P42336 1/20 0.48
ELANE P08246 1/20 0.45
ULK1 O75385 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYP2C9 P11712 1/20 0.42
TBXAS1 P24557 1/20 0.42
KIF11 P52732 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
MMP12 P39900 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
SCHEMBL13436727 0.86 FAAH (0.54) FAAHHDAC6PIK3CAELANECYP11B1
SCHEMBL3477848 0.83 FAAH (0.58) FAAHHDAC6PIK3CAELANE
SCHEMBL13436723 0.81 FAAH (0.58) FAAHHDAC6PIK3CAELANE
SCHEMBL3477494 0.78 FAAH (0.60) FAAHHDAC6PIK3CAELANE
SCHEMBL3476641 0.78 HDAC6 (0.48) FAAHHDAC6PIK3CAELANE
SCHEMBL3477397 0.77 FAAH (0.58) FAAHHDAC6PIK3CAELANEMAPT
SCHEMBL3477307 0.77 FAAH (0.66) FAAHHDAC6PIK3CAELANEMAPT
SCHEMBL3477409 0.76 FAAH (0.71) FAAHHDAC6PIK3CAELANEMAPT
SCHEMBL3475819 0.76 FAAH (0.65) FAAHHDAC6PIK3CAELANEALDH1A1
SCHEMBL3477428 0.74 FAAH (0.64) 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