SCHEMBL6554162

SCHEMBL6554162

O=C(O)c1c(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)ccc(-c2ccccc2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.39
ADRB1 P08588 13/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
SPPL2A Q8TCT8 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL6554212 0.84 ADRB3 (0.36) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6540456 0.83 PSEN1 (0.39) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6540463 0.83 PSEN1 (0.39) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6540461 0.83 PSEN1 (0.39) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6802974 0.83 ADRB3 (0.43) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6805795 0.82 ADRB3 (0.44) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6805800 0.82 ADRB3 (0.44) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6799695 0.82 ADRB3 (0.36) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6678311 0.82 ADRB3 (0.51) ADRB3ADRB1MEN1POLBKMT2A
SCHEMBL6540568 0.82 OPRK1 (0.43) ADRB3ADRB1MEN1POLBKMT2A

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