SCHEMBL8287262

SCHEMBL8287262

O=C(CCc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
PDE11A Q9HCR9 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
MARK3 P27448 1/20 0.31
MARK4 Q96L34 1/20 0.31
SLC5A1 P13866 3/20 0.31
IDO1 P14902 2/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CCND2 P30279 2/20 0.31
CCND3 P30281 2/20 0.31

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
SCHEMBL8286455 0.86 PLA2G4A (0.37) PDE11AHPGDCDK4CCND1CCND2
SCHEMBL8287273 0.84 PDE11A (0.34) PDE11AHPGDALDH1A1KDM4EHTT
SCHEMBL8287259 0.84 GAA (0.34) HSD11B1PDE11AHPGDALDH1A1KDM4E
SCHEMBL8286557 0.84 NPC1 (0.40) PDE11AALDH1A1KDM4EMEN1KMT2A
SCHEMBL8286568 0.83 BACE1 (0.38) PDE11AHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL8286560 0.83 MAPT (0.39) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL8287270 0.83 HSD11B1 (0.40) HSD11B1PDE11AMAPTSMN1; SMN2
SCHEMBL8287264 0.83 PDE11A (0.31) PDE11A
SCHEMBL8286552 0.82 CCNC (0.37) PDE11AHPGDALDH1A1KDM4EMEN1
SCHEMBL8287263 0.82 TSHR (0.40) PDE11AHPGDALDH1A1KDM4EMEN1

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