SCHEMBL1440309

SCHEMBL1440309

Cc1cc2[nH]c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ SMO Q99835 2/20 0.51
▸ PTGES O14684 8/20 0.49
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 2/20 0.46
▸ SLC6A9 P48067 1/20 0.44

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
SCHEMBL1440314 1.00 MAPT (0.52) MAPTSMOPTGESLMNATP53
SCHEMBL1440369 0.96 MAPT (0.52) MAPTSMOPTGESLMNATP53
SCHEMBL1440367 0.96 MAPT (0.52) MAPTSMOPTGESLMNATP53
SCHEMBL1441508 0.92 TP53 (0.48) MAPTSMOPTGESLMNATP53
SCHEMBL1440810 0.92 TP53 (0.48) MAPTSMOPTGESLMNATP53
SCHEMBL1440573 0.92 PTGES (0.54) MAPTSMOPTGESLMNATP53
SCHEMBL1440570 0.92 PTGES (0.54) MAPTSMOPTGESLMNATP53
SCHEMBL1440323 0.88 MAPT (0.56) MAPTPTGESLMNATP53
SCHEMBL1440737 0.84 MAPT (0.56) MAPTPTGESLMNATP53
SCHEMBL1440597 0.82 PTGES (0.46) MAPTSMOPTGESLMNATP53

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
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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