SCHEMBL2716658

SCHEMBL2716658

Cc1c(Oc2ccccc2C2COS(=O)OC2)ncnc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.46
SCN5A Q14524 11/20 0.46
KCNH2 Q12809 8/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL3698016 0.87 MAOA (0.46) SCN9ASCN5AKCNH2SMN1; SMN2MAOA
SCHEMBL3698623 0.87 MAOA (0.46) SCN9ASCN5AKCNH2SMN1; SMN2MAOA
SCHEMBL3698015 0.87 MAOA (0.46) SCN9ASCN5AKCNH2SMN1; SMN2MAOA
SCHEMBL2730166 0.84 GPR119 (0.45) GPR119
SCHEMBL2728781 0.83 GPR119 (0.42) GPR119
SCHEMBL3699648 0.75 MAOA (0.46) SCN9ASCN5AKCNH2SMN1; SMN2MAOA
SCHEMBL2717030 0.73 GPR119 (0.40) GPR119
SCHEMBL15234139 0.73 GPR119 (0.62) SMN1; SMN2GPR119
SCHEMBL15234082 0.73 GPR119 (0.62) SMN1; SMN2GPR119
SCHEMBL15234083 0.71 GPR119 (0.42) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO disclosed