SCHEMBL8287435

SCHEMBL8287435

Cc1nc2c(cc1NC1CCCCC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA1 P30542 8/20 0.39
ADORA2A P29274 5/20 0.39
PDE11A Q9HCR9 1/20 0.39
NPY5R Q15761 1/20 0.38
ADORA3 P0DMS8 6/20 0.38
RAB9A P51151 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
AOC3 Q16853 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
SCHEMBL8287451 0.85 PDE11A (0.42) KDM4ELMNASMN1; SMN2PDE11ARAB9A
SCHEMBL8287564 0.84 ALDH1A1 (0.38) KDM4ELMNAPDE11ACNR2ALDH1A1
SCHEMBL8285198 0.81 PDE11A (0.45) KDM4ELMNASMN1; SMN2ADORA1ADORA2A
SCHEMBL8287170 0.81 PDE11A (0.38) PDE11ACNR2GAA
SCHEMBL5871894 0.80 PDE11A (0.43) KDM4ELMNASMN1; SMN2PDE11AALDH1A1
SCHEMBL8362865 0.80 MAT2A (0.41) KDM4ELMNASMN1; SMN2PDE11AADORA3
SCHEMBL8287426 0.79 CYP3A4 (0.42) KDM4ELMNASMN1; SMN2ADORA2APDE11A
SCHEMBL8286404 0.79 PDE11A (0.40) KDM4ELMNASMN1; SMN2PDE11AALDH1A1
SCHEMBL8287487 0.78 PDE11A (0.38) KDM4EPDE11AALDH1A1GAA
SCHEMBL8287277 0.78 AOC3 (0.39) KDM4ELMNAADORA1ADORA2APDE11A

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