SCHEMBL4383822

SCHEMBL4383822

O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.45
GABRA5 P31644 1/20 0.41
KCNH2 Q12809 3/20 0.41
SCN5A Q14524 3/20 0.41
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGDS O60760 2/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL4383564 0.98 SCN9A (0.42) SCN9AGABRA5KCNH2SCN5ACNR2
SCHEMBL4386460 0.88 SCN9A (0.46) SCN9AKCNH2SCN5ACNR2L3MBTL1
SCHEMBL4378741 0.83 ALDH1A1 (0.44) GABRA5
SCHEMBL4381747 0.83 KMT2A (0.40) GABRA5
SCHEMBL4377805 0.82 ALDH1A1 (0.45) L3MBTL1
SCHEMBL2066076 0.81 GSK3B (0.47)
SCHEMBL4768777 0.80 GSK3B (0.38)
SCHEMBL2065426 0.79 DRD4 (0.42)
SCHEMBL4389917 0.79 HPGDS (0.39) HPGDS
SCHEMBL2065105 0.79 GSK3B (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed