SCHEMBL2659463

SCHEMBL2659463

O=C(Nc1nccs1)C(CC1CCC(O)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 8/20 0.67
GCK P35557 6/20 0.53
KCNH2 Q12809 2/20 0.53
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
XBP1 P17861 1/20 0.40

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
SCHEMBL2641963 1.00 FFAR2 (0.67) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL9072697 0.90 FFAR2 (0.66) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2642177 0.90 FFAR2 (0.66) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2645075 0.88 FFAR2 (0.72) FFAR2GCKKCNH2MAPT
SCHEMBL2657079 0.88 FFAR2 (0.72) FFAR2GCKKCNH2MAPT
SCHEMBL2645076 0.88 FFAR2 (0.72) FFAR2GCKKCNH2MAPT
SCHEMBL2642070 0.87 FFAR2 (0.62) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2665260 0.87 FFAR2 (0.62) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2665218 0.86 FFAR2 (0.60) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2642251 0.86 FFAR2 (0.60) FFAR2GCKKCNH2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 WO disclosed