SCHEMBL3459053

SCHEMBL3459053

O=c1oc(OCc2ccccc2)nn1-c1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
LIPC P11150 1/20 0.50
ACHE P22303 1/20 0.50
LIPE Q05469 1/20 0.50
ELANE P08246 2/20 0.49
MGLL Q99685 3/20 0.41
FAAH O00519 3/20 0.41
ADORA3 P0DMS8 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 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
SCHEMBL3458598 0.81 MGLL (0.49) MGLLFAAHGABRPGABRDGABRA1
SCHEMBL3458691 0.76 BCHE (0.48) BCHELIPCACHELIPEELANE
SCHEMBL3458662 0.74 BCHE (0.54) BCHELIPCACHELIPEELANE
SCHEMBL3458193 0.73 BCHE (0.50) BCHELIPCACHELIPEELANE
SCHEMBL2853749 0.71 BCHE (0.68) BCHELIPCACHELIPEELANE
SCHEMBL7044271 0.69 BCHE (0.56) BCHELIPCACHELIPEMGLL
SCHEMBL6552559 0.67 BCHE (1.00) BCHELIPCACHELIPEMGLL
SCHEMBL10662155 0.66 ELANE (1.00) ELANEMEN1KMT2A
SCHEMBL7044238 0.65 BCHE (0.81) BCHELIPCACHELIPEMGLL
SCHEMBL5492954 0.65 ELANE (0.45) BCHEACHEELANEMAPTMEN1

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