SCHEMBL298803

SCHEMBL298803

Cc1c(Cl)ncnc1O[C@H]1CCN(C(=O)O)CC1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.39
TBK1 Q9UHD2 4/20 0.35
GPR119 Q8TDV5 8/20 0.34
NTRK1 P04629 4/20 0.33
KCNH2 Q12809 4/20 0.33
JAK2 O60674 2/20 0.33
ADRA1A P35348 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1768128 1.00 PIK3CD (0.39) PIK3CDTBK1GPR119NTRK1KCNH2
SCHEMBL288648 1.00 PIK3CD (0.39) PIK3CDTBK1GPR119NTRK1KCNH2
SCHEMBL761206 0.86 PIK3CD (0.47) PIK3CDTBK1GPR119
SCHEMBL13836529 0.86 PIK3CD (0.47) PIK3CDTBK1GPR119
SCHEMBL10170824 0.84 GPR119 (0.42) PIK3CDGPR119CYP2C9
SCHEMBL1768452 0.84 GPR119 (0.42) PIK3CDGPR119CYP2C9
SCHEMBL1768451 0.84 GPR119 (0.42) PIK3CDGPR119CYP2C9
SCHEMBL288925 0.81 GPR119 (0.46) PIK3CDGPR119CYP2C9
SCHEMBL14639244 0.79 GPR119 (0.58) GPR119
SCHEMBL14637820 0.79 GPR119 (0.58) 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-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed