SCHEMBL8285280

SCHEMBL8285280

COC(=O)CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.56
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
TSHR P16473 1/20 0.35
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DDX3X O00571 1/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL8285257 0.91 PDE11A (0.57) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285254 0.91 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8362903 0.89 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285258 0.89 PDE11A (0.55) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285263 0.88 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287847 0.86 PDE11A (0.60) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285266 0.84 PDE11A (0.57) PDE11AMEN1KMT2AMAPTGAA
SCHEMBL8285287 0.83 PDE11A (0.63) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286114 0.82 PDE11A (0.53) PDE11AMEN1KMT2AMAPTTSHR
SCHEMBL8287476 0.82 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A

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 1 patent. 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