SCHEMBL3477397

SCHEMBL3477397

c1cc2c(cc1-c1ccc3oc(NC4CCCCC4)nc3c1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.58
PIK3CA P42336 2/20 0.53
HDAC6 Q9UBN7 2/20 0.51
DYRK1A Q13627 2/20 0.47
ELANE P08246 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37

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
SCHEMBL13436640 0.87 FAAH (0.61) FAAHPIK3CAHDAC6ELANEMAPT
SCHEMBL3477307 0.80 FAAH (0.66) FAAHPIK3CAHDAC6ELANEMAPT
SCHEMBL3475819 0.79 FAAH (0.65) FAAHPIK3CAHDAC6ELANERAB9A
SCHEMBL3477409 0.79 FAAH (0.71) FAAHPIK3CAHDAC6ELANEMAPT
SCHEMBL13436763 0.78 FAAH (0.76) FAAHPIK3CAHDAC6ELANEMAPT
SCHEMBL3477428 0.78 FAAH (0.64) FAAHPIK3CAHDAC6DYRK1AELANE
SCHEMBL3474618 0.77 FAAH (0.62) FAAHPIK3CAHDAC6ELANE
SCHEMBL13436727 0.77 FAAH (0.54) FAAHPIK3CAHDAC6ELANE
SCHEMBL3477976 0.77 FAAH (0.54) FAAHPIK3CAHDAC6ELANEMAPT
SCHEMBL3477717 0.76 HDAC6 (0.67) FAAHPIK3CAHDAC6ELANE

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