SCHEMBL3346338

SCHEMBL3346338

O=C(O)N1CCC2(CC1)C[C@@H](c1cccc(Oc3ccc(C(F)(F)F)cn3)c1)CO2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
SCN9A Q15858 10/20 0.46
LIPE Q05469 7/20 0.45
BCHE P06276 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL3350669 1.00 MGLL (0.53) MGLLSCN9ALIPEBCHEFAAH
SCHEMBL3346359 1.00 MGLL (0.53) MGLLSCN9ALIPEBCHEFAAH
SCHEMBL2428762 0.90 MGLL (0.53) MGLLSCN9ALIPEBCHE
SCHEMBL2429281 0.90 MGLL (0.53) MGLLSCN9ALIPEBCHE
SCHEMBL2425259 0.90 MGLL (0.53) MGLLSCN9ALIPEBCHE
SCHEMBL3347799 0.87 MGLL (0.49) MGLLSCN9A
SCHEMBL3348224 0.87 MGLL (0.49) MGLLSCN9ALIPEFAAH
SCHEMBL3238559 0.87 SCN9A (0.55) MGLLSCN9ALIPEBCHEFAAH
SCHEMBL2423585 0.85 FAAH (0.62) MGLLSCN9ALIPEFAAH
SCHEMBL2429580 0.85 FAAH (0.62) MGLLSCN9ALIPEFAAH

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-2010058318-A1 1-OXA-8-AZASPIRO [4, 5 ] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS PFIZER INC. (US) 2010-05-27 WO disclosed