SCHEMBL6203717

SCHEMBL6203717

COc1ccc(OC)c(CC(O)OC)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.68
HSD17B10 Q99714 1/20 0.54
IDO1 P14902 2/20 0.53
ADRA1A P35348 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ADRA2A P08913 1/20 0.50
AOC3 Q16853 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL13692380 0.84 HTR2A (0.70) HTR2AHSD17B10IDO1ADRA1ATAAR1
SCHEMBL3459047 0.84 HTR2A (0.70) HTR2AHSD17B10IDO1ADRA1ATAAR1
SCHEMBL8527544 0.81 HTR2A (0.61) HTR2AHSD17B10IDO1ADRA1ATAAR1
SCHEMBL3460220 0.81 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL1740903 0.81 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL31545209 0.81 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL1740902 0.81 HTR2A (1.00) HTR2AIDO1ADRA1ATAAR1
SCHEMBL4960829 0.80 HTR2A (0.74) HTR2AHSD17B10IDO1ADRA1ATAAR1
SCHEMBL6203715 0.79 HTR2A (0.63) HTR2AHSD17B10IDO1ADRA1ATAAR1
Hydrochloric Acid SCHEMBL29542459 0.79 HTR2A (0.97) HTR2AIDO1ADRA1ATAAR1

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed