SCHEMBL5208487

SCHEMBL5208487

Cc1ccc(CNC(=O)CC2CN(C(=O)C3CCOC3)CCN2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
JAK3 P52333 1/20 0.34
PARP1 P09874 1/20 0.34
NAMPT P43490 2/20 0.34
ENPP2 Q13822 1/20 0.34
SOS1 Q07889 2/20 0.34
MEN1 O00255 1/20 0.34
GRM5 P41594 1/20 0.34
REN P00797 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL5195794 0.86 ALDH1A1 (0.44) GAAKMT2AMEN1ALDH1A1
SCHEMBL5190948 0.78 TSHR (0.43) NOS2GAAALDH1A1
SCHEMBL5195267 0.78 ALDH1A1 (0.41) GAAKMT2AMEN1ALDH1A1
SCHEMBL5195658 0.77 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL5193895 0.77 KDM4E (0.48) KMT2AMEN1ALDH1A1
SCHEMBL5192917 0.71 NOS2 (0.57) NOS2
SCHEMBL5191071 0.69 LMNA (0.47) GAAKMT2AMEN1
SCHEMBL5192873 0.69 LMNA (0.47) GAAKMT2AMEN1
SCHEMBL31686264 0.68 EPHX2 (0.42) GAAJAK3ENPP2GRM5ALDH1A1
SCHEMBL27422339 0.68 EPHX2 (0.42) GAAJAK3ENPP2GRM5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed