SCHEMBL3477722

SCHEMBL3477722

c1nc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.59
HDAC6 Q9UBN7 2/20 0.52
PIK3CA P42336 2/20 0.52
ELANE P08246 1/20 0.44
PAK1 Q13153 1/20 0.40
IP6K1 Q92551 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 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
SCHEMBL3477713 0.83 FAAH (0.60) FAAHHDAC6PIK3CAELANE
SCHEMBL3478197 0.81 FAAH (0.64) FAAHHDAC6PIK3CAELANEKDM4E
SCHEMBL3475662 0.81 FAAH (0.61) FAAHHDAC6PIK3CAELANEKDM4E
SCHEMBL3477307 0.81 FAAH (0.66) FAAHHDAC6PIK3CAELANEMAPT
SCHEMBL3477424 0.81 FAAH (0.56) FAAHHDAC6PIK3CAELANE
SCHEMBL3477494 0.81 FAAH (0.60) FAAHHDAC6PIK3CAELANE
SCHEMBL3477842 0.80 FAAH (0.62) FAAHHDAC6PIK3CAELANEMAPT
SCHEMBL3477409 0.80 FAAH (0.71) FAAHHDAC6PIK3CAELANEKDM4E
SCHEMBL3475819 0.80 FAAH (0.65) FAAHHDAC6PIK3CAELANENPC1
SCHEMBL3478462 0.79 FAAH (0.59) 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