SCHEMBL7718281

SCHEMBL7718281

O=C(OCC1=Cc2cccc(O)c2CCC1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.36
PTGDR Q13258 9/20 0.36
PTGER3 P43115 3/20 0.36
PTGER1 P34995 2/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 2/20 0.33
PTGER2 P43116 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
MAOB P27338 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL7717811 0.84 PTGIR (0.53) PTGIRPTGDRPTGER3PTGER1TDP1
SCHEMBL8078060 0.83 PTGIR (0.40) PTGIRPTGDRPTGER3PTGER1ATM
SCHEMBL7718275 0.79 PTGIR (0.36) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL7776643 0.77 PTGIR (0.55) PTGIRPTGDRPTGER3PTGER1TDP1
SCHEMBL7716599 0.74 PTGIR (0.39) PTGIRPTGDRPTGER3PTGER1ATM
SCHEMBL7772443 0.73 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7776701 0.72 PTGIR (0.37) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL7713218 0.68 PTGIR (0.63) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7779771 0.68 PTGIR (0.46) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8078066 0.68 ATM (0.43) PTGIRPTGDRATMTDP1L3MBTL1

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 1 patent. 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