SCHEMBL3342852

SCHEMBL3342852

CC(C)c1noc(N2CCC(Oc3ccc(-c4ccc(S(C)(=O)=O)cc4F)cc3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C19 P33261 2/20 0.65
GPR183 P32249 1/20 0.55
KCNH2 Q12809 1/20 0.53

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
SCHEMBL14634214 0.84 GPR119 (0.59) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL14648401 0.84 GPR119 (0.59) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL14634213 0.84 GPR119 (0.59) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL3343438 0.82 GPR119 (0.58) GPR119CYP3A4CYP2C19GPR183
SCHEMBL5823244 0.82 GPR119 (0.64) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL3374622 0.81 GPR119 (0.59) GPR119CYP3A4CYP2C19GPR183
SCHEMBL390901 0.80 GPR119 (0.63) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL389196 0.80 GPR119 (0.63) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL390154 0.79 GPR119 (0.72) GPR119CYP3A4CYP2C19GPR183KCNH2
SCHEMBL15312654 0.79 GPR119 (1.00) GPR119CYP3A4CYP2C19KCNH2

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-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed