SCHEMBL4065618

SCHEMBL4065618

O=C1CCC(c2cc(F)c(OC3CCN(C(=O)O)CC3)c(F)c2)=NN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
PDE3B Q13370 8/20 0.36
PDE3A Q14432 8/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
LMNA P02545 2/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL1374917 0.86 GPR119 (0.44) HRH3MAPTGPR119
SCHEMBL1375841 0.83 HRH3 (0.68) HRH3
SCHEMBL1375200 0.82 HRH3 (0.43) HRH3SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL14310659 0.76 HRH3 (0.40) HRH3SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL1375901 0.69 HRH3 (0.70) HRH3PDE3BPDE3APDE4APDE4B
SCHEMBL1376794 0.68 GPR119 (0.55) HRH3GPR119
SCHEMBL3613207 0.67 HRH3 (0.61) HRH3LMNANPY1RNPY2RMAPT
SCHEMBL1372630 0.67 HRH3 (0.70) HRH3
SCHEMBL1372627 0.67 HRH3 (0.70) HRH3
SCHEMBL23365224 0.66 FFAR4 (0.44)

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-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed