SCHEMBL8285152

SCHEMBL8285152

O=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.56
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CCNE1 P24864 1/20 0.35
CDK3 Q00526 1/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33

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
SCHEMBL8285159 0.96 PDE11A (0.53) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8285156 0.92 PDE11A (0.56) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8287114 0.92 PDE11A (0.59) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8287840 0.90 PDE11A (0.54) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8287838 0.90 PDE11A (0.57) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8287845 0.88 PDE11A (0.55) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8286121 0.87 PDE11A (0.60) PDE11AMEN1KMT2ACNR1CNR2
SCHEMBL8287105 0.86 PDE11A (0.53) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8286369 0.86 PDE11A (0.59) PDE11AHCRTR1HCRTR2MEN1KMT2A
SCHEMBL8285263 0.85 PDE11A (0.56) PDE11AMEN1KMT2ACNR1CNR2

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