SCHEMBL8287402

SCHEMBL8287402

Cc1cc2c(c(N3CCN(CCN(C)C)CC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.39
HTR7 P34969 6/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
P2RY12 Q9H244 1/20 0.34
MAT2A P31153 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
CFTR P13569 3/20 0.34
ELANE P08246 1/20 0.34
JAK2 O60674 1/20 0.34
BRD4 O60885 1/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 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
SCHEMBL8287461 0.87 MAT2A (0.44) PDE11AMAT2A
SCHEMBL8286461 0.87 PDE11A (0.47) PDE11ADRD2DRD4DRD3MAT2A
SCHEMBL8286097 0.84 PDE11A (0.45) PDE11AHTR7DRD2DRD4DRD3
SCHEMBL8287408 0.84 PDE11A (0.44) PDE11AMAT2A
SCHEMBL8287925 0.83 PDE11A (0.42) PDE11ALMNAPOLBJAK2BRD4
SCHEMBL8287403 0.82 PDE11A (0.56) PDE11AMAT2ALMNA
SCHEMBL8287935 0.82 NCF1 (0.43) PDE11ALMNAGFER
SCHEMBL8287910 0.81 MAPT (0.43) PDE11AP2RY12POLB
SCHEMBL8286167 0.80 DRD2 (0.39) PDE11ADRD2DRD3P2RY12POLB
SCHEMBL8286189 0.77 PDE11A (0.39) PDE11AMAT2ALMNAGFER

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