SCHEMBL2651266

SCHEMBL2651266

O=C(Nc1nccs1)C(CC1CCC(F)(F)C1)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 8/20 0.52
▸ GCK P35557 6/20 0.44
▸ KCNH2 Q12809 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL14423148 0.84 FFAR2 (0.62) FFAR2GCKKCNH2LMNAMEN1
SCHEMBL2642305 0.84 FFAR2 (0.62) FFAR2GCKKCNH2LMNAMEN1
SCHEMBL2651982 0.82 FFAR2 (0.54) FFAR2GCKKCNH2LMNAMEN1
SCHEMBL2642385 0.71 FFAR2 (0.56) FFAR2GCKKCNH2CYP3A4
SCHEMBL2645076 0.69 FFAR2 (0.72) FFAR2GCKKCNH2
SCHEMBL2645075 0.69 FFAR2 (0.72) FFAR2GCKKCNH2
SCHEMBL2657079 0.69 FFAR2 (0.72) FFAR2GCKKCNH2
SCHEMBL14423133 0.69 FFAR2 (0.56) FFAR2GCKKCNH2LMNAMEN1
SCHEMBL2642146 0.69 FFAR2 (0.56) FFAR2GCKKCNH2LMNAMEN1
SCHEMBL2656985 0.69 FFAR2 (0.70) FFAR2GCKKCNH2LMNAMEN1

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
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 — — WO disclosed
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