SCHEMBL15094580

SCHEMBL15094580

O=C(O)N1CCN(Cc2ccc(N3CCCC3)cc2Cl)C(C(C(F)(F)F)C(F)(F)F)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.42
ABHD6 Q9BV23 6/20 0.39
MGLL Q99685 5/20 0.39
PLA2G7 Q13093 3/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
NOTUM Q6P988 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TP53BP1 Q12888 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15094578 0.86 MGLL (0.39) FAAHABHD6MGLLPLA2G7CYP2D6
SCHEMBL15094637 0.82 MGLL (0.46) ABHD6MGLLPLA2G7ALDH1A1CYP2D6
SCHEMBL15094544 0.81 RORC (0.43) ABHD6MGLLPLA2G7
SCHEMBL15094825 0.80 MGLL (0.55) FAAHABHD6MGLLPLA2G7CYP2D6
SCHEMBL15094643 0.80 MGLL (0.42) FAAHABHD6MGLLPLA2G7NR1H2
Hydrochloric Acid SCHEMBL20167952 0.80 MGLL (0.54) FAAHABHD6MGLLPLA2G7CYP2D6
SCHEMBL15094559 0.78 MGLL (0.46) ABHD6MGLLPLA2G7MAPTALDH1A1
SCHEMBL15094475 0.78 ABHD6 (0.39) ABHD6MGLLPLA2G7
Fumaric Acid SCHEMBL20168297 0.77 MGLL (0.51) FAAHABHD6MGLLPLA2G7CYP2D6
SCHEMBL19260947 0.76 MGLL (0.46) ABHD6MGLLPLA2G7CYP2D6

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
EP-2800565-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2014-11-12 EP disclosed
WO-2013103973-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-07-11 WO disclosed