SCHEMBL7691897

SCHEMBL7691897

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.48
ADRB1 P08588 11/20 0.48
MET P08581 5/20 0.40
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
SCN9A Q15858 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL7691759 0.96 ADRB3 (0.47) ADRB3ADRB1METADRB2
SCHEMBL7689088 0.95 ADRB3 (0.47) ADRB3ADRB1METAXLMERTK
SCHEMBL7691872 0.95 ADRB3 (0.49) ADRB3ADRB1METAXLMERTK
SCHEMBL7699516 0.93 ADRB3 (0.50) ADRB3ADRB1METSCN9AADRB2
SCHEMBL7692485 0.90 ADRB3 (0.48) ADRB3ADRB1METAXLMERTK
SCHEMBL7693978 0.89 ADRB3 (0.58) ADRB3ADRB1METADRB2
SCHEMBL7692653 0.89 ADRB3 (0.51) ADRB3ADRB1METAXLMERTK
SCHEMBL7689875 0.89 ADRB3 (0.52) ADRB3ADRB1METAXLMERTK
SCHEMBL7688056 0.89 ADRB3 (0.47) ADRB3ADRB1METAXLMERTK
SCHEMBL7693483 0.88 ADRB3 (0.57) ADRB3ADRB1METADRB2

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