SCHEMBL15324641

SCHEMBL15324641

COC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2c1OCCO2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.51
CYP2D6 P10635 1/20 0.45

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
SCHEMBL15323639 0.90 PTGES (0.49) PTGES
SCHEMBL15324418 0.90 PTGES (0.53) PTGESCYP2D6
SCHEMBL2696497 0.83 PTGES (0.59) PTGES
SCHEMBL15337265 0.82 PTGES (0.78) PTGES
SCHEMBL15324602 0.81 PTGES (0.77) PTGESCYP2D6
SCHEMBL2699063 0.81 PTGES (0.40) PTGES
SCHEMBL15324687 0.81 PTGES (0.78) PTGESCYP2D6
SCHEMBL15323982 0.80 PTGES (0.51) PTGES
SCHEMBL2700066 0.80 PTGES (0.57) PTGES
SCHEMBL2699069 0.80 PTGES (0.56) PTGES

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
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO claimed
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO disclosed
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO disclosed