SCHEMBL5268846

SCHEMBL5268846

CCOC(=O)c1ccc([C@H]2CC[C@H](NC[C@H](O)COc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ADRB1 P08588 6/20 0.49
ADRB3 P13945 6/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ADRB2 P07550 5/20 0.45
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 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
SCHEMBL3293703 1.00 MAPT (0.50) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL3287682 0.88 ADRB1 (0.50) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL5263928 0.87 ATF4 (0.43) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL3295260 0.87 ATF4 (0.43) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL5264242 0.85 MAPT (0.42) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL3288048 0.85 MAPT (0.42) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL5202580 0.84 ADRB3 (0.55) MAPTADRB1ADRB3LMNAMEN1
SCHEMBL5261882 0.83 ADRB3 (0.49) MAPTADRB1ADRB3ADRB2
SCHEMBL12380677 0.83 ADRB3 (0.49) MAPTADRB1ADRB3ADRB2
SCHEMBL2294588 0.83 ADRB3 (0.49) MAPTADRB1ADRB3ADRB2

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
EP-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP claimed