SCHEMBL8068504

SCHEMBL8068504

O=C(OCC1CCCc2ccccc2C1O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.54
TSHR P16473 1/20 0.54
PTGIR P43119 15/20 0.47
PTGDR Q13258 9/20 0.47
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
PTGER1 P34995 1/20 0.42
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7717812 0.84 PTGIR (0.44) BLMPTGIRPTGDRPTGER4PTGER3
SCHEMBL7717821 0.80 PTGIR (0.60) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL8081130 0.76 PTGIR (0.49) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7718887 0.75 PTGIR (0.40) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7778660 0.75 PTGIR (0.64) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7778607 0.75 PTGIR (0.64) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7778604 0.75 PTGIR (0.64) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL8080971 0.72 PTGIR (0.61) BLMTSHRPTGIRPTGDRPTGER4
SCHEMBL7778572 0.71 PTGIR (0.52) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7776682 0.71 PTGIR (0.52) PTGIRPTGDRPTGER4PTGER3PTGER2

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-1030834-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
WO-1999024397-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-20 WO disclosed