SCHEMBL14363773

SCHEMBL14363773

COc1ccc(C2OCC3c4[nH]c5ccccc5c4CCN32)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.52
▸ ABCB1 P08183 6/20 0.52
▸ ADRA1A P35348 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PDE5A O76074 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL14363777 0.89 MAPT (0.51) ABCG2ADRA1ATP53MAPT
SCHEMBL14364155 0.88 ADRA1D (0.50) ABCG2ABCB1ADRA1ALMNAMAPT
SCHEMBL14363771 0.88 MAPKAPK2 (0.51) ABCG2ABCB1ADRA1ATP53MAPT
SCHEMBL14364159 0.78 CHRNA7 (0.55) ADRA1ALMNAPDE5AMEN1KMT2A
SCHEMBL14364171 0.75 CHRNA7 (0.49) ABCG2ABCB1ADRA1AMAPTMEN1
SCHEMBL14364157 0.75 CHRNA7 (0.49) ABCG2ABCB1ADRA1AMEN1KMT2A
SCHEMBL14363770 0.75 MAPT (0.54) ADRA1ATP53MAPT
SCHEMBL14363774 0.72 MAPKAPK2 (0.50) ADRA1ALMNATP53MAPT
SCHEMBL538174 0.71 HTR7 (0.76) MAPTMEN1KMT2A
SCHEMBL13912128 0.69 ABCG2 (0.94) ABCG2ABCB1TP53

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-2007147819-A1 3H,11H-OXAZOLO[3',4':1,2]PYRIDO[3,4-B]INDOLE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2007-12-27 — — WO disclosed
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