SCHEMBL1440054

SCHEMBL1440054

O=C(NC1CCCC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 7/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 4/20 0.48
▸ TP53 P04637 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HPGD P15428 1/20 0.46

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
SCHEMBL1440421 0.98 PTGES (0.52) PTGESPTGS2TSHRMAPTLMNA
SCHEMBL1441243 0.95 MAPT (0.52) PTGESPTGS2MAPTLMNATP53
SCHEMBL1440737 0.92 MAPT (0.56) PTGESPTGS2TSHRMAPTLMNA
SCHEMBL1439975 0.92 PTGES (0.48) PTGESPTGS2TSHRMAPTLMNA
SCHEMBL1441498 0.92 PTGES (0.48) PTGESPTGS2TSHRMAPTLMNA
SCHEMBL1440323 0.92 MAPT (0.56) PTGESPTGS2TSHRMAPTLMNA
SCHEMBL1440380 0.87 PTGES (0.58) PTGESPTGS2TSHRMAPTLMNA
SCHEMBL1440573 0.86 PTGES (0.54) PTGESPTGS2MAPTLMNATP53
SCHEMBL1440570 0.86 PTGES (0.54) PTGESPTGS2MAPTLMNATP53
SCHEMBL1443417 0.84 TP53 (0.44) MAPTLMNATP53

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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