SCHEMBL8286369

SCHEMBL8286369

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(NCCO)cc(C(F)(F)F)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.59
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL8287114 0.89 PDE11A (0.59) PDE11ALMNAALDH1A1KDM4EHPGD
SCHEMBL8287857 0.88 PDE11A (0.56) PDE11ATSHRLMNAALDH1A1KDM4E
SCHEMBL8285142 0.87 PDE11A (0.60) PDE11ATSHRLMNAALDH1A1KDM4E
SCHEMBL8287838 0.87 PDE11A (0.57) PDE11ATSHRLMNAALDH1A1KDM4E
SCHEMBL8287115 0.86 PDE11A (0.44) PDE11ATSHRRECQLMCL1LMNA
SCHEMBL8285152 0.86 PDE11A (0.56) PDE11ALMNAALDH1A1HCRTR1HCRTR2
SCHEMBL8285156 0.85 PDE11A (0.56) PDE11ALMNAALDH1A1KDM4EHCRTR1
SCHEMBL8287845 0.84 PDE11A (0.55) PDE11ALMNAALDH1A1KDM4EHPGD
SCHEMBL8287850 0.84 PDE11A (0.56) PDE11ALMNAKCNH3CNR2MAPT
SCHEMBL8287840 0.84 PDE11A (0.54) PDE11ALMNAALDH1A1KDM4EHCRTR1

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed