SCHEMBL2729476

SCHEMBL2729476

Cc1c(OCCCC2CCN(C(=O)O)CC2)ncnc1Oc1ccc(C2COS(=O)(=O)OC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM4 P08173 1/20 0.32
CSF1R P07333 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL2729478 0.93 GPR119 (0.36) GPR119CYP4F2CYP4A11NPC1RAB9A
SCHEMBL2729751 0.90 GPR119 (0.48) GPR119CSF1RKDR
SCHEMBL15234150 0.89 GPR119 (0.31) GPR119
SCHEMBL2717412 0.88 GPR119 (0.36) GPR119CYP4F2CYP4A11NPC1RAB9A
SCHEMBL3695835 0.85 GPR119 (0.47) GPR119
SCHEMBL2729753 0.84 GPR119 (0.48) GPR119CSF1RKDR
SCHEMBL15234148 0.83 GPR119 (0.31) GPR119
SCHEMBL2716117 0.79 GPR119 (0.48) GPR119CSF1RKDR
SCHEMBL2718006 0.79 GPR119 (0.48) GPR119CSF1RKDR
SCHEMBL2716115 0.79 GPR119 (0.48) GPR119CSF1RKDR

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