SCHEMBL22365045

SCHEMBL22365045

O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(-c3ccccc3)cc2CN2CCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 18/20 0.64
▸ ABHD6 Q9BV23 12/20 0.64
▸ PLA2G7 Q13093 9/20 0.64
▸ CYP2D6 P10635 1/20 0.60

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
SCHEMBL18074105 0.88 MGLL (0.62) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15100943 0.88 MGLL (0.62) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15101012 0.88 MGLL (0.60) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15101009 0.88 MGLL (0.63) MGLLABHD6PLA2G7
SCHEMBL18634145 0.86 MGLL (0.59) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094316 0.86 MGLL (0.61) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094855 0.86 MGLL (0.64) MGLLABHD6PLA2G7
SCHEMBL15100993 0.83 MGLL (0.76) MGLLABHD6PLA2G7
SCHEMBL15094091 0.83 MGLL (0.58) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15100712 0.82 MGLL (0.75) 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-3698782-A1 CARBAMATE COMPOUNDS FOR USE IN THERAPY Lundbeck La Jolla Research Center, Inc. (US) 2020-08-26 — — EP disclosed
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