SCHEMBL3346469

SCHEMBL3346469

O=C(O)N1CCC2(CC1)C[C@@H](c1ccc(Cl)c(Cl)c1)CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.45
FFAR4 Q5NUL3 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
NOTUM Q6P988 1/20 0.34
TP53 P04637 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3346464 1.00 MGLL (0.45) MGLLFFAR4LMNAMAPTSMN1; SMN2
SCHEMBL2425394 0.83 MGLL (0.48) MGLLLMNAMAPTSMN1; SMN2NPC1
SCHEMBL3346286 0.82 MGLL (0.51) MGLLFFAR4
SCHEMBL3350922 0.82 MGLL (0.51) MGLLFFAR4
SCHEMBL3346282 0.82 MGLL (0.51) MGLLFFAR4
SCHEMBL18446074 0.82 MGLL (0.50) MGLL
SCHEMBL3350643 0.81 MGLL (0.51) MGLLOPRM1OPRD1OPRK1
SCHEMBL3346380 0.81 MGLL (0.51) MGLLOPRM1OPRD1OPRK1
SCHEMBL3346378 0.81 MGLL (0.51) MGLLOPRM1OPRD1OPRK1
SCHEMBL3345924 0.79 MGLL (0.41) MGLLFFAR4NPC1TP53

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