SCHEMBL8287249

SCHEMBL8287249

Cc1cc2c(c(C(=O)N3CCCCC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
PDE11A Q9HCR9 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GRM5 P41594 1/20 0.39
CES2 O00748 1/20 0.39
GBA1 P04062 3/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 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
SCHEMBL5871645 0.86 GAA (0.42) ALDH1A1TSHRPDE11AMAPTHPGD
SCHEMBL5872094 0.85 PDE11A (0.40) ALDH1A1TSHRPDE11AKMT2AMEN1
SCHEMBL8287996 0.84 MAPT (0.43) ALDH1A1PDE11AKMT2AMEN1MAPT
SCHEMBL8286146 0.84 PDE11A (0.39) ALDH1A1TSHRPDE11AMAPTHPGD
SCHEMBL8287994 0.84 PDE11A (0.38) ALDH1A1TSHRPDE11AKMT2AMEN1
SCHEMBL8287217 0.83 RIPK1 (0.43) ALDH1A1TSHRPDE11AKMT2AMEN1
SCHEMBL8286412 0.83 PDE11A (0.46) ALDH1A1TSHRPDE11AKMT2AMEN1
SCHEMBL8287535 0.83 PDE4B (0.41) ALDH1A1PDE11AKMT2AMEN1MAPT
SCHEMBL8287219 0.82 CNR2 (0.47) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL8287408 0.82 PDE11A (0.44) ALDH1A1TSHRPDE11AKMT2AMEN1

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