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Sugi Predict / Compounds / SCHEMBL3680127

SCHEMBL3680127

SCHEMBL3680127

CC(C)OCc1ccc(C(=O)N2CCC(Oc3ncnc4c3cnn4-c3ccc(S(C)(=O)=O)cc3F)CC2)nc1.CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C(=O)c5ccc(OC(F)F)cc5)CC4)ncnc32)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 19/20 0.62
▸ CYP2C9 P11712 3/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ PRKAA2 P54646 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
SCHEMBL389305 0.93 GPR119 (0.72) GPR119CYP2C9KCNH2
SCHEMBL389532 0.90 GPR119 (0.72) GPR119CYP2C9KCNH2
SCHEMBL389743 0.86 GPR119 (0.74) GPR119CYP2C9KCNH2
SCHEMBL390949 0.85 GPR119 (0.70) GPR119CYP2C9KCNH2
SCHEMBL1510029 0.84 GPR119 (0.71) GPR119CYP2C9KCNH2
SCHEMBL390209 0.83 GPR119 (0.73) GPR119CYP2C9KCNH2
SCHEMBL389243 0.82 GPR119 (0.66) GPR119CYP2C9KCNH2
SCHEMBL388241 0.81 GPR119 (0.72) GPR119CYP2C9KCNH2
SCHEMBL1071472 0.81 GPR119 (0.71) GPR119CYP2C9KCNH2
SCHEMBL14607244 0.80 GPR119 (0.68) GPR119CYP2C9KCNH2

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-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 — — EP disclosed