SCHEMBL6552709

SCHEMBL6552709

CC(=O)OOc1c(C)cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
ADRB3 P13945 9/20 0.36
ADRB1 P08588 6/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
SPPL2A Q8TCT8 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ADRB2 P07550 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6552712 0.92 KCNH2 (0.37) KCNH2ADRB3ADRB1MEN1POLB
SCHEMBL6552641 0.91 KCNH2 (0.42) KCNH2ADRB3ADRB1ADRB2TAS2R14
SCHEMBL6540202 0.88 ADRB1 (0.42) KCNH2ADRB3ADRB1ADRB2CYP1A2
SCHEMBL6540209 0.88 ADRB1 (0.42) KCNH2ADRB3ADRB1ADRB2CYP1A2
SCHEMBL6540307 0.87 ADRB3 (0.41) KCNH2ADRB3ADRB1MEN1POLB
SCHEMBL6540314 0.87 ADRB3 (0.41) KCNH2ADRB3ADRB1MEN1POLB
SCHEMBL6272447 0.85 ADRB3 (0.39) KCNH2ADRB3ADRB1MEN1POLB
SCHEMBL6272453 0.85 ADRB3 (0.39) KCNH2ADRB3ADRB1MEN1POLB
SCHEMBL6553145 0.85 KCNH2 (0.42) KCNH2ADRB3ADRB1POLBADRB2
SCHEMBL6552642 0.85 KCNH2 (0.42) KCNH2ADRB3ADRB1POLBADRB2

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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed