SCHEMBL3458215

SCHEMBL3458215

O=c1oc(Oc2ccccc2)nn1-c1ccc(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.48
FAAH O00519 1/20 0.48
ABHD6 Q9BV23 1/20 0.40
BCHE P06276 1/20 0.39
LIPC P11150 1/20 0.39
ACHE P22303 1/20 0.39
LIPE Q05469 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2856529 0.81 MGLL (0.67) MGLLFAAHBCHELIPCACHE
SCHEMBL2855348 0.76 MGLL (0.71) MGLLFAAHBCHELIPCACHE
SCHEMBL3458598 0.68 MGLL (0.49) MGLLFAAHABHD6
SCHEMBL27764179 0.67 SCN4A (0.46) ALDH1A1
SCHEMBL3458714 0.66 MGLL (0.47) MGLLFAAHABHD6ALDH1A1
SCHEMBL9553707 0.65 MGLL (0.56) MGLLFAAH
SCHEMBL6552566 0.65 MGLL (1.00) MGLLFAAH
SCHEMBL2826312 0.64 MGLL (0.55) MGLLFAAHBCHELIPCACHE
SCHEMBL510254 0.64 LTA4H (0.49) ALDH1A1
SCHEMBL6552675 0.63 MGLL (1.00) MGLLFAAHBCHELIPCACHE

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
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO claimed
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO disclosed