SCHEMBL8513016

SCHEMBL8513016

N#Cc1c(COc2ccc(-n3ccnn3)cc2)cnn1C1CCN(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.61
CYP19A1 P11511 1/20 0.37
KCNH2 Q12809 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM1A O60341 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 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
SCHEMBL2641662 0.89 GPR119 (0.58) GPR119KMT2AMEN1
SCHEMBL9883058 0.89 GPR119 (0.65) GPR119
SCHEMBL8512743 0.88 GPR119 (0.77) GPR119KCNH2TDP1KMT2AMAPT
SCHEMBL8515670 0.87 GPR119 (0.81) GPR119CYP19A1KCNH2
SCHEMBL8515560 0.87 GPR119 (0.57) GPR119TDP1KMT2ARAB9A
SCHEMBL8513541 0.82 GPR119 (0.48) GPR119KMT2A
SCHEMBL8512929 0.78 GPR119 (0.68) GPR119KCNH2
SCHEMBL1061143 0.78 GPR119 (0.59) GPR119
SCHEMBL1061145 0.77 GPR119 (0.78) GPR119TDP1KMT2AMAPTMEN1
SCHEMBL8515298 0.77 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 4 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 claimed
WO-2012069948-A1 4- (5-CYANO-PYRAZOL-1-YL) -PIPERIDINE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2012-05-31 WO claimed
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