SCHEMBL1440573

SCHEMBL1440573

O=C(NC1CCOC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 7/20 0.54
▸ SMO Q99835 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 4/20 0.45
▸ TP53 P04637 2/20 0.44
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL1440570 1.00 PTGES (0.54) PTGESSMOMAPTLMNATP53
SCHEMBL1440314 0.92 MAPT (0.52) PTGESSMOMAPTLMNATP53
SCHEMBL1440309 0.92 MAPT (0.52) PTGESSMOMAPTLMNATP53
SCHEMBL1440369 0.92 MAPT (0.52) PTGESSMOMAPTLMNATP53
SCHEMBL1440367 0.92 MAPT (0.52) PTGESSMOMAPTLMNATP53
SCHEMBL1441243 0.88 MAPT (0.52) PTGESMAPTLMNATP53PTGS2
SCHEMBL1440810 0.88 TP53 (0.48) PTGESSMOMAPTLMNATP53
SCHEMBL1441508 0.88 TP53 (0.48) PTGESSMOMAPTLMNATP53
SCHEMBL1440421 0.86 PTGES (0.52) PTGESMAPTLMNATP53PTGS2
SCHEMBL1440054 0.86 PTGES (0.52) PTGESMAPTLMNATP53PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012117062-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INIHIBITORS NOVASAID AB (SE) 2012-09-07 — — WO disclosed
EP-2495244-A1 Piperidinyl benzoimidazole derivatives as mPGEs-1 inhibitors NovaSaid AB (SE) 2012-09-05 — — EP disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
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