SCHEMBL8286167

SCHEMBL8286167

CCNC(=O)N1CCN(c2nc(C)cc3c2c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
PDE11A Q9HCR9 1/20 0.39
GAA P10253 1/20 0.37
KIT P10721 2/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1B P49286 1/20 0.36
P2RY12 Q9H244 4/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL8287910 0.89 MAPT (0.43) PDE11AMAPTMAPK1MEN1USP2
SCHEMBL8287935 0.88 NCF1 (0.43) PDE11AGAAMAPTMAPK1MEN1
SCHEMBL8286461 0.86 PDE11A (0.47) DRD2DRD3PDE11AGAAMAPT
SCHEMBL8287531 0.84 PDE11A (0.44) DRD2DRD3PDE11AGAAMAPT
SCHEMBL8287461 0.84 MAT2A (0.44) PDE11AGAAMAPTMAPK1CYP1A2
SCHEMBL8287408 0.83 PDE11A (0.44) PDE11AGAAMAPTMAPK1MEN1
SCHEMBL8287925 0.82 PDE11A (0.42) PDE11AGAAMAPTMAPK1MEN1
SCHEMBL8287403 0.82 PDE11A (0.56) PDE11AMAPTMAPK1CYP1A2CYP3A4
SCHEMBL8287402 0.80 PDE11A (0.39) DRD2DRD3PDE11APOLBP2RY12
SCHEMBL8287468 0.78 P2RY12 (0.41) PDE11AKITMAPTMAPK1MEN1

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