SCHEMBL7688056

SCHEMBL7688056

O=C(NS(=O)(=O)C(F)(F)F)c1ccc2c(Oc3ccc(C[C@@H](CO)NC[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.47
ADRB1 P08588 10/20 0.47
MET P08581 7/20 0.39
AXL P30530 2/20 0.37
MERTK Q12866 1/20 0.37
KDR P35968 2/20 0.34
BRAF P15056 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 1/20 0.33

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
SCHEMBL7699516 0.91 ADRB3 (0.50) ADRB3ADRB1MET
SCHEMBL7691872 0.91 ADRB3 (0.49) ADRB3ADRB1METAXLMERTK
SCHEMBL7692485 0.90 ADRB3 (0.48) ADRB3ADRB1METAXLMERTK
SCHEMBL7691897 0.89 ADRB3 (0.48) ADRB3ADRB1METAXLMERTK
SCHEMBL7689875 0.88 ADRB3 (0.52) ADRB3ADRB1METAXLMERTK
SCHEMBL7691759 0.88 ADRB3 (0.47) ADRB3ADRB1MET
SCHEMBL6479461 0.87 ADRB3 (0.58) ADRB3ADRB1METAXLMERTK
SCHEMBL6479456 0.87 ADRB3 (0.58) ADRB3ADRB1METAXLMERTK
SCHEMBL7689088 0.87 ADRB3 (0.47) ADRB3ADRB1METAXLMERTK
SCHEMBL7693483 0.87 ADRB3 (0.57) ADRB3ADRB1METKDR

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed