SCHEMBL8287233

SCHEMBL8287233

Cc1cc2c(c(C3CCCCC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.40
DRD1 P21728 3/20 0.38
DRD5 P21918 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
GRM1 Q13255 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
MAT2A P31153 2/20 0.35
PIK3CA P42336 1/20 0.35
PRKDC P78527 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 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
SCHEMBL8287203 0.99 PDE11A (0.40) PDE11ADRD1DRD5SMN1; SMN2GAA
SCHEMBL8287994 0.84 PDE11A (0.38) PDE11AGAAHPGDMAPK1PIK3CA
SCHEMBL8287919 0.83 ALDH1A1 (0.41) PDE11AGAAALDH1A1KDM4EATM
SCHEMBL8287219 0.83 CNR2 (0.47) HPGDALDH1A1LMNAHTTNPSR1
SCHEMBL8287408 0.82 PDE11A (0.44) PDE11ASMN1; SMN2GAAHPGDMAPK1
SCHEMBL8285251 0.82 PDE11A (0.48) PDE11ADRD1DRD5SMN1; SMN2GAA
SCHEMBL8286080 0.82 PDE11A (0.39) PDE11ASMN1; SMN2GAAHPGDMAPK1
SCHEMBL5872108 0.81 GAA (0.44) PDE11ASMN1; SMN2GAAHPGDMAPK1
SCHEMBL8287563 0.81 PDE7A (0.43) PDE11ADRD1DRD5GAAHPGD
SCHEMBL8287206 0.80 PDE11A (0.40) PDE11ASMN1; SMN2GAAHPGDMAPK1

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