SCHEMBL8514152

SCHEMBL8514152

N#Cc1ccc(OCc2cnn(C3CCNCC3)c2C#N)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.69
KDM1A O60341 7/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
PRMT5 O14744 1/20 0.36
EGFR P00533 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALK Q9UM73 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL9883106 0.90 GPR119 (0.57) GPR119KDM1ATLR9TLR8TLR7
SCHEMBL1060782 0.86 GPR119 (0.57) GPR119TLR9TLR8TLR7JAK2
SCHEMBL1056445 0.86 GPR119 (0.54) GPR119KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL8511959 0.85 GPR119 (0.76) GPR119JAK2JAK1
SCHEMBL9883065 0.82 GPR119 (0.80) GPR119
SCHEMBL8587982 0.82 GPR119 (1.00) GPR119
SCHEMBL1055392 0.81 GPR119 (0.77) GPR119
SCHEMBL8510863 0.79 GPR119 (1.00) GPR119
SCHEMBL27970570 0.76 GPR119 (0.47) GPR119
SCHEMBL1060870 0.73 GPR119 (0.61) GPR119JAK2JAK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643310-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc (US) 2013-10-02 EP disclosed
WO-2012069948-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2012-05-31 WO disclosed
WO-2012069948-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2012-05-31 WO disclosed