SCHEMBL23349073

SCHEMBL23349073

C/C=C(/OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2C3CCC2COC3)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 16/20 0.77
▸ ABHD6 Q9BV23 10/20 0.77
▸ PLA2G7 Q13093 5/20 0.59
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL18064898 0.87 MGLL (1.00) MGLLABHD6PLA2G7CYP2D6
SCHEMBL18087120 0.78 MGLL (0.80) MGLLABHD6PLA2G7CYP2D6
SCHEMBL29509902 0.76 MGLL (0.80) MGLLABHD6PLA2G7CYP2D6
SCHEMBL19386363 0.72 MGLL (0.68) MGLLABHD6PLA2G7CYP2D6
SCHEMBL18064891 0.71 MGLL (0.82) MGLLABHD6PLA2G7CYP2D6
SCHEMBL30420288 0.71 FAAH (0.74) MGLLABHD6
SCHEMBL20566541 0.71 FAAH (0.74) MGLLABHD6
SCHEMBL15100813 0.71 MGLL (1.00) MGLLABHD6PLA2G7CYP2D6
SCHEMBL22273329 0.71 MGLL (0.79) MGLLABHD6PLA2G7CYP2D6
SCHEMBL29509888 0.70 MGLL (1.00) MGLLABHD6PLA2G7CYP2D6

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
EP-3271352-B1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2021-05-12 — — EP disclosed
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