SCHEMBL7689875

SCHEMBL7689875

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.52
ADRB1 P08588 10/20 0.52
MET P08581 7/20 0.41
AXL P30530 3/20 0.40
MERTK Q12866 2/20 0.40
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
AURKA O14965 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL7693483 0.93 ADRB3 (0.57) ADRB3ADRB1METAURKALCK
SCHEMBL7700169 0.93 AXL (0.48) ADRB3ADRB1METAXLMERTK
SCHEMBL7692653 0.92 ADRB3 (0.51) ADRB3ADRB1METAXLMERTK
SCHEMBL6479456 0.92 ADRB3 (0.58) ADRB3ADRB1METAXLMERTK
SCHEMBL6479461 0.92 ADRB3 (0.58) ADRB3ADRB1METAXLMERTK
SCHEMBL7699516 0.92 ADRB3 (0.50) ADRB3ADRB1MET
SCHEMBL7693978 0.91 ADRB3 (0.58) ADRB3ADRB1METAURKALCK
SCHEMBL7691872 0.91 ADRB3 (0.49) ADRB3ADRB1METAXLMERTK
SCHEMBL7692899 0.91 ADRB3 (0.50) ADRB3ADRB1METAXLMERTK
SCHEMBL7692667 0.91 ADRB3 (0.50) ADRB3ADRB1METAXLMERTK

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