SCHEMBL20177976

SCHEMBL20177976

CC(Nc1cc(C(F)(F)F)ccc1CN1CCNCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.54
CHRM3 P20309 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2D6 P10635 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DDR1 Q08345 1/20 0.38

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
SCHEMBL20155526 1.00 MGLL (0.54) MGLLCHRM3MEN1KMT2AMKNK1
Hydrochloric Acid SCHEMBL20137395 0.99 MGLL (0.53) MGLLCHRM3MEN1KMT2AMKNK1
Hydrochloric Acid SCHEMBL29531222 0.99 MGLL (0.53) MGLLCHRM3MEN1KMT2AMKNK1
SCHEMBL20150076 0.84 LMNA (0.40) MGLLCHRM3MEN1KMT2ASLC6A4
SCHEMBL20155493 0.82 MGLL (0.58) MGLLCYP2D6ABHD6
SCHEMBL20137403 0.82 MGLL (0.58) MGLLCYP2D6ABHD6
SCHEMBL20178047 0.81 MGLL (0.74) MGLLCYP2D6ABHD6
SCHEMBL20137407 0.81 MGLL (0.74) MGLLCYP2D6ABHD6
SCHEMBL20155573 0.81 MGLL (0.74) MGLLCYP2D6ABHD6
Hydrochloric Acid SCHEMBL20137389 0.81 MGLL (0.50) MGLLCHRM3MKNK1MKNK2

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-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed