SCHEMBL19974451

SCHEMBL19974451

O=C(OC(C(F)(F)F)C(F)(F)F)C1CNCCN1Cc1ccc(C(F)(F)F)cc1N1CC2CNCC2C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.53
ABHD6 Q9BV23 10/20 0.53
PLA2G7 Q13093 5/20 0.53
CYP2D6 P10635 1/20 0.47

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
SCHEMBL15094641 0.90 MGLL (0.58) MGLLABHD6PLA2G7CYP2D6
SCHEMBL19974302 0.81 MGLL (0.44) MGLLABHD6PLA2G7CYP2D6
SCHEMBL19992925 0.80 MGLL (0.82) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094506 0.80 MGLL (0.56) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094565 0.80 MGLL (0.58) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094777 0.80 MGLL (0.58) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094627 0.79 MGLL (0.60) MGLLABHD6PLA2G7
SCHEMBL15094555 0.79 ABHD6 (0.49) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094702 0.79 MGLL (0.58) MGLLABHD6PLA2G7CYP2D6
SCHEMBL15094681 0.77 MGLL (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515897-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2019-07-31 EP disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed