SCHEMBL2828663

SCHEMBL2828663

COc1ccc(-n2nc(Oc3ccc(Cl)cc3)oc2=O)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.49
FAAH O00519 1/20 0.44
ABHD16A O95870 1/20 0.42
NPBWR1 P48145 2/20 0.40
MCHR1 Q99705 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
SCHEMBL2853266 0.80 MGLL (0.64) MGLLFAAHABHD16ANPBWR1MCHR1
Hydrochloric Acid SCHEMBL3471956 0.77 ATM (0.45) MGLLMCHR1
SCHEMBL9553657 0.75 MGLL (0.47) MGLLFAAH
SCHEMBL7044439 0.74 MGLL (0.78) MGLLFAAHABHD16ANPBWR1
Hydrochloric Acid SCHEMBL3458788 0.72 MGLL (0.47) MGLLFAAHNPBWR1MCHR1
SCHEMBL10825959 0.71 NOTUM (0.55) MGLLFAAHNPBWR1
SCHEMBL11619464 0.71 ABHD16A (0.49) MGLLFAAHABHD16A
SCHEMBL2854103 0.70 FAAH (0.53) MGLLFAAHABHD16ANPBWR1MCHR1
SCHEMBL3458114 0.69 MGLL (0.55) MGLLFAAHABHD16ANPBWR1MCHR1
SCHEMBL9553707 0.69 MGLL (0.56) MGLLFAAH

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
EP-2238131-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - Portela & Ca., S.A. (PT) 2010-10-13 EP disclosed
WO-2009084970-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL-PORTELA & COMPANHIA, S.A. (PT) 2009-07-09 WO disclosed