SCHEMBL14364155

SCHEMBL14364155

c1ccc(C2OCC3c4[nH]c5ccccc5c4CCN32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ ADRA1B P35368 2/20 0.50
▸ CYP2D6 P10635 2/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD5 P21918 1/20 0.43

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
SCHEMBL14363773 0.88 ABCG2 (0.52) ADRA1AABCB1ABCG2LMNAMAPT
SCHEMBL14363771 0.84 MAPKAPK2 (0.51) ADRA1AHTR7ABCB1ABCG2MAPT
SCHEMBL14364159 0.82 CHRNA7 (0.55) ADRA1DADRA1AADRA1BCYP2D6CHRNA7
SCHEMBL14364171 0.79 CHRNA7 (0.49) ADRA1DADRA1AADRA1BCYP2D6ABCB1
SCHEMBL14364157 0.79 CHRNA7 (0.49) ADRA1DADRA1AADRA1BCYP2D6ABCB1
SCHEMBL14363777 0.76 MAPT (0.51) ADRA1DADRA1ACYP2D6HTR7ABCG2
SCHEMBL14363778 0.72 SLC6A4 (0.39) ADRA1ACYP2D6ABCB1ABCG2MAPT
SCHEMBL14364158 0.71 ADRA1A (0.62) ADRA1DADRA1AADRA1BCYP2D6CHRNA7
SCHEMBL17518851 0.69 ADRA1D (0.64) ADRA1DADRA1AADRA1BCYP2D6HTR7
SCHEMBL21648518 0.69 CHRNA7 (0.42) ADRA1DADRA1AADRA1BABCB1ABCG2

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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