SCHEMBL19260947

SCHEMBL19260947

O=C(O)N1CCN(Cc2ccc(Cl)cc2N2CCNCC2)C(C(C(F)(F)F)C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.46
ABHD6 Q9BV23 8/20 0.46
PLA2G7 Q13093 6/20 0.46
MC4R P32245 2/20 0.37
DDR1 Q08345 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CYP2D6 P10635 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
SCHEMBL18064849 0.85 MGLL (0.61) MGLLABHD6PLA2G7
SCHEMBL15094567 0.85 MGLL (0.44) MGLLABHD6PLA2G7DDR1
SCHEMBL15094637 0.84 MGLL (0.46) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094753 0.83 MGLL (0.39) MGLLABHD6PLA2G7
SCHEMBL15094622 0.82 MGLL (0.50) MGLLABHD6PLA2G7
SCHEMBL15094719 0.81 MGLL (0.45) MGLLABHD6PLA2G7MC4R
SCHEMBL15094825 0.80 MGLL (0.55) MGLLABHD6PLA2G7CYP2D6
Hydrochloric Acid SCHEMBL20167952 0.79 MGLL (0.54) MGLLABHD6PLA2G7CYP2D6
SCHEMBL29170864 0.79 MGLL (0.43) MGLLABHD6PLA2G7
SCHEMBL19974350 0.79 MGLL (0.41) MGLLABHD6PLA2G7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017143283-A1 RADIOLABELED MONOACYLGLYCEROL LIPASE OCCUPANCY PROBE ABIDE THERAPEUTICS, INC. (US) 2017-08-24 WO disclosed