SCHEMBL7717829

SCHEMBL7717829

O=C(OCC1(O)CCCc2c(O)cccc2C1O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.65
PTGDR Q13258 9/20 0.43
PTGER3 P43115 3/20 0.43
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.33
PTGER2 P43116 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CHRM3 P20309 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM5 P08912 1/20 0.31

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
SCHEMBL7718277 0.85 PTGIR (0.89) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8080971 0.85 PTGIR (0.61) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7720284 0.80 PTGIR (0.61) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7779787 0.79 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7778581 0.75 PTGIR (0.81) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7716647 0.75 PTGIR (0.50) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7717812 0.74 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7779771 0.73 PTGIR (0.46) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7776653 0.68 PTGIR (0.81) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7718905 0.67 PTGIR (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384072-B1 CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
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