Sugi Predict

Sugi Predict / Compounds / SCHEMBL3422745

SCHEMBL3422745

SCHEMBL3422745

C=C(c1cc(Br)cc(COCC)c1)c1ccc(OC)c(C)c1.CCOCc1cc(Br)cc(C2(c3ccc(OC)c(C)c3)COC(N)=N2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.33
▸ CTSD P07339 4/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL2278647 0.91 BACE1 (0.38) BACE1CTSDTAAR1
SCHEMBL2278642 0.91 BACE1 (0.38) BACE1CTSDTAAR1
SCHEMBL3427794 0.81 BACE1 (0.39) BACE1CTSDPDE4APDE4BPDE4C
SCHEMBL2286175 0.81 BACE1 (0.39) BACE1CTSD
SCHEMBL2286171 0.81 BACE1 (0.39) BACE1CTSD
SCHEMBL3422426 0.80 BACE1 (0.38) BACE1CTSD
SCHEMBL2283027 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL2283554 0.78 BACE1 (0.39) BACE1CTSDTAAR1
SCHEMBL2283550 0.78 BACE1 (0.39) BACE1CTSDTAAR1
SCHEMBL2283478 0.78 BACE1 (0.41) BACE1CTSDTAAR1

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed