SCHEMBL20503563

SCHEMBL20503563

O=C(O)N1CCN(Cc2ccc(C(F)(F)F)cc2-c2nnco2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
MGLL Q99685 12/20 0.42
ABHD6 Q9BV23 6/20 0.41
CYP2D6 P10635 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PLA2G7 Q13093 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL20503582 0.86 MGLL (0.46) MGLLABHD6CYP2D6PLA2G7
Trifluoroacetic Acid SCHEMBL28618771 0.85 CHRM3 (0.38) FAAHMGLLABHD6NOTUM
SCHEMBL20567654 0.85 FAAH (0.65) FAAHMGLL
SCHEMBL30419290 0.85 FAAH (0.65) FAAHMGLL
SCHEMBL20503642 0.83 NOTUM (0.42) CYP2D6SIGMAR1NOTUM
SCHEMBL22350686 0.79 FAAH (0.48) FAAHMGLL
SCHEMBL20571263 0.79 NOTUM (0.43) FAAHMGLLSIGMAR1NOTUM
SCHEMBL20503532 0.79 FAAH (0.46) FAAHMGLL
SCHEMBL20571297 0.78 MGLL (0.45) FAAHMGLLABHD6CYP2D6PTGDR2
SCHEMBL20503399 0.76 MGLL (0.50) FAAHMGLLABHD6CYP2D6PTGDR2

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-3377060-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-09-26 EP disclosed