SCHEMBL8287367

SCHEMBL8287367

CC(C)(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.49
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MDM2 Q00987 1/20 0.32
P2RX3 P56373 1/20 0.31
NR3C1 P04150 2/20 0.31
AR P10275 2/20 0.31
PTK2 Q05397 1/20 0.31
RAB9A P51151 1/20 0.30
ACP1 P24666 1/20 0.30
DHODH Q02127 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NTSR1 P30989 1/20 0.30
HTT P42858 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
SCHEMBL8287361 0.88 PDE11A (0.48) PDE11AHCRTR1HCRTR2P2RX3NR3C1
SCHEMBL8286090 0.88 PDE11A (0.48) PDE11AHCRTR1HCRTR2MDM2P2RX3
SCHEMBL8286091 0.86 PDE11A (0.46) PDE11AHCRTR1HCRTR2PTK2LMNA
SCHEMBL8287120 0.80 PDE11A (0.49) PDE11AMDM2PTK2
SCHEMBL8286094 0.79 PDE11A (0.45) PDE11ALMNAMAPTHTT
SCHEMBL8287364 0.79 PDE11A (0.47) PDE11AMDM2
SCHEMBL8286352 0.77 PDE11A (0.60) PDE11AHCRTR1HCRTR2LMNAMAPT
SCHEMBL8287101 0.77 PDE11A (0.60) PDE11AHCRTR1HCRTR2
SCHEMBL8287391 0.77 PDE11A (0.81) PDE11AMAPT
SCHEMBL8286093 0.77 PDE11A (0.59) PDE11AHTT

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