SCHEMBL8078078

SCHEMBL8078078

O=C(OCC12Cc3ccccc3CCC1O2)N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.44
PTGDR Q13258 9/20 0.44
PTGER3 P43115 3/20 0.44
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.39
PTGER2 P43116 2/20 0.39
CHRM4 P08173 4/20 0.39
CHRM3 P20309 4/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM2 P08172 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
SCHEMBL7713209 0.83 PTGIR (0.67) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8078275 0.78 PTGIR (0.48) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8078053 0.73 PTGIR (0.43) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8082944 0.72 PTGIR (0.63) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8078028 0.72 PTGIR (0.49) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8081130 0.68 PTGIR (0.49) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7716647 0.66 PTGIR (0.50) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7777382 0.65 PTGIR (0.59) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL8080971 0.64 PTGIR (0.61) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL6519312 0.64 PTGIR (0.72) PTGIRPTGDRPTGER3PTGER1PTGER4

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