SCHEMBL631137

SCHEMBL631137

CNC(=O)[C@H](Cc1ccc(OCCCOC)cc1)NC(=O)O[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.41
FKBP1A P62942 3/20 0.39
FKBP4 Q02790 1/20 0.39
FKBP5 Q13451 1/20 0.39
MMP1 P03956 2/20 0.37
ADAM17 P78536 1/20 0.37
LMNA P02545 1/20 0.37
ITGB1 P05556 4/20 0.37
ITGA4 P13612 3/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ITGA5 P08648 2/20 0.36
ITGAV P06756 1/20 0.36
ITGB7 P26010 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL630717 0.92 KCNQ1 (0.42) KCNQ1FKBP1AFKBP4FKBP5MMP1
SCHEMBL630287 0.90 KCNQ1 (0.39) KCNQ1FKBP1AFKBP4FKBP5LMNA
SCHEMBL630553 0.89 KCNQ1 (0.49) KCNQ1FKBP1AFKBP4FKBP5MMP1
SCHEMBL1381826 0.89 KCNQ1 (0.49) KCNQ1FKBP1AFKBP4FKBP5MMP1
SCHEMBL629871 0.82 KCNQ1 (0.48) KCNQ1FKBP1AFKBP4FKBP5MMP1
SCHEMBL1384421 0.82 KCNQ1 (0.48) KCNQ1FKBP1AFKBP4FKBP5MMP1
SCHEMBL631450 0.82 KCNQ1 (0.36) KCNQ1FKBP1AFKBP4FKBP5MMP1
SCHEMBL630557 0.82 ITGB1 (0.53) KCNQ1FKBP1AFKBP4FKBP5LMNA
SCHEMBL630558 0.82 ITGB1 (0.53) KCNQ1FKBP1AFKBP4FKBP5LMNA
SCHEMBL630706 0.81 KCNQ1 (0.46) KCNQ1FKBP1AFKBP4FKBP5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed