SCHEMBL4748362

SCHEMBL4748362

O=C(NC1CCCCC1)Oc1cccc(-c2nccs2)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.65
TRPA1 O75762 1/20 0.59
EPHX2 P34913 1/20 0.59
FAAH2 Q6GMR7 1/20 0.59
MGLL Q99685 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL31418197 0.91 FAAH (0.60) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL31418231 0.91 FAAH (0.60) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL31418259 0.90 FAAH (0.58) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL30039761 0.81 RAB9A (0.54)
SCHEMBL29393643 0.80 FAAH (1.00) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL530169 0.80 FAAH (1.00) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL10089418 0.78 FAAH (0.97) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL4750632 0.78 FAAH (0.65) FAAHTRPA1EPHX2FAAH2MGLL
SCHEMBL31417872 0.77 FAAH (0.44) FAAH
SCHEMBL31418246 0.77 FAAH (0.44) FAAH

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-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO claimed
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed