SCHEMBL9822952

SCHEMBL9822952

CCCCCCCCN(CCCCCCCC)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INSR P06213 3/20 0.55
RELA Q04206 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ATG4B Q9Y4P1 1/20 0.48
KDM4A O75164 4/20 0.48
KDM2A Q9Y2K7 4/20 0.48
AR P10275 1/20 0.46
EGFR P00533 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CNR2 P34972 2/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL28387158 1.00 INSR (0.55) INSRRELACHRM2CHRM4CHRM5
SCHEMBL5712602 0.98 INSR (0.53) INSRRELACHRM2CHRM4CHRM5
SCHEMBL5493740 0.98 INSR (0.53) INSRRELACHRM2CHRM4CHRM5
SCHEMBL13091028 0.93 CHRM2 (0.55) INSRRELACHRM2CHRM4CHRM5
SCHEMBL7719119 0.93 CHRM2 (0.54) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5712573 0.91 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1832514 0.91 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5712574 0.91 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL2604957 0.90 CHRM2 (0.57) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1832512 0.89 INSR (0.51) INSRCHRM2CHRM4CHRM5CHRM1

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-0242170-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING-MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1991-09-18 EP disclosed
EP-0242170-A2 Divinyl compounds and chromogenic recording-material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP disclosed