SCHEMBL1755705

SCHEMBL1755705

CCC(=O)c1ccc(OCc2ccc(C(OC3CCCCO3)c3cccc(N)c3)cc2)c(Cl)c1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
FKBP1A P62942 2/20 0.32
ADRB3 P13945 1/20 0.32
KCNH2 Q12809 1/20 0.32
CREBBP Q92793 1/20 0.31
FKBP4 Q02790 1/20 0.31
FKBP5 Q13451 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
PDK2 Q15119 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL1755767 0.92 PTGER4 (0.38) PTGER4FKBP1AADRB3KCNH2CREBBP
SCHEMBL8264747 0.92 GRM2 (0.37) PTGER4
SCHEMBL481084 0.89 MRGPRX4 (0.35) PTGER4KCNH2PTGER1
SCHEMBL1755708 0.87 GRM2 (0.39) PTGER4KCNH2CREBBP
SCHEMBL1755729 0.86 GRM2 (0.39)
SCHEMBL8264743 0.83 L3MBTL1 (0.36) PTGER4FKBP1AADRB3CREBBPICAM1
SCHEMBL480832 0.83 PTGER4 (0.43) PTGER4CREBBPPTGER1
SCHEMBL10244891 0.83 PTGER4 (0.38) PTGER4FKBP1AADRB3CREBBPFKBP4
SCHEMBL481416 0.83 PTGER4 (0.39) PTGER4
SCHEMBL481096 0.82 GRM2 (0.36) PTGER4

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-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed