SCHEMBL5771740

SCHEMBL5771740

CC1(C(=O)NC2CCCCC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCCO)n3)[nH]2)OC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
MAPK13 O15264 11/20 0.62
MAPK12 P53778 11/20 0.62
MAPK11 Q15759 11/20 0.62

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
SCHEMBL5771220 0.98 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771202 0.96 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768753 0.95 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771435 0.94 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772296 0.94 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771987 0.93 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769913 0.92 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770738 0.91 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767816 0.91 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772659 0.91 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP claimed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed