SCHEMBL2634612

SCHEMBL2634612

Cc1nc(-n2cncn2)ccc1OCc1cnn(C2CCN(C(=O)O)CC2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL1060222 0.90 GPR119 (0.49) GPR119
SCHEMBL8513541 0.87 GPR119 (0.48) GPR119PSEN1PSEN2APH1BNCSTN
SCHEMBL2641575 0.81 GPR119 (0.52) GPR119PSEN1PSEN2APH1BNCSTN
SCHEMBL9883069 0.78 GPR119 (0.40) GPR119
SCHEMBL8511740 0.77 GPR119 (0.63) GPR119PSEN1PSEN2APH1BNCSTN
SCHEMBL4358211 0.76 CYP3A4 (0.46) GPR119KDM4EPOLB
SCHEMBL1056482 0.76 GPR119 (0.40) GPR119
SCHEMBL8511959 0.75 GPR119 (0.76) GPR119
SCHEMBL2634581 0.74 GPR119 (0.58) GPR119MEN1KMT2A
SCHEMBL2634548 0.74 GPR119 (0.60) GPR119KMT2A

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 6 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-2438051-A1 L- ( PIPERIDIN-4-YL) -PYRAZOLE DERIVATIVES AS GPR 119 MODULATORS Pfizer Inc. (US) 2012-04-11 EP claimed
WO-2010140092-A1 L- ( PIPERIDIN-4-YL) -PYRAZOLE DERIVATIVES AS GPR 119 MODULATORS PFIZER INC. (US) 2010-12-09 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