SCHEMBL2660251

SCHEMBL2660251

O=C(Nc1nccs1)C(CC1CCCC1O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 8/20 0.59
▸ GCK P35557 6/20 0.52
▸ KCNH2 Q12809 1/20 0.51
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ XBP1 P17861 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2642244 1.00 FFAR2 (0.59) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2645076 0.87 FFAR2 (0.72) FFAR2GCKKCNH2MAPT
SCHEMBL2645075 0.87 FFAR2 (0.72) FFAR2GCKKCNH2MAPT
SCHEMBL2657079 0.87 FFAR2 (0.72) FFAR2GCKKCNH2MAPT
SCHEMBL2659463 0.83 FFAR2 (0.67) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2641963 0.83 FFAR2 (0.67) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2642059 0.83 FFAR2 (0.57) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL14423127 0.83 FFAR2 (0.57) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL14423103 0.83 FFAR2 (0.57) FFAR2GCKKCNH2MAPTLMNA
SCHEMBL2642303 0.83 FFAR2 (0.57) 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 4 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
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