SCHEMBL5135751

SCHEMBL5135751

CCCCn1c(CN(CCC(C)C)Cc2ccc(C(C)C)cc2)cnc1-c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASR P41180 2/20 0.36
GCGR P47871 1/20 0.33
ICMT O60725 1/20 0.31
UCHL3 P15374 1/20 0.31
TLR8 Q9NR97 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ACKR3 P25106 1/20 0.31
MCHR1 Q99705 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL5137056 0.93 MEN1 (0.40) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5135038 0.92 MEN1 (0.40) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5135510 0.92 MEN1 (0.40) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5136223 0.91 MEN1 (0.39) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5135066 0.90 MEN1 (0.38) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5135884 0.90 MEN1 (0.38) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5136012 0.90 MEN1 (0.39) MEN1KMT2AGCGRICMTTLR8
SCHEMBL5137581 0.89 MEN1 (0.38) MEN1KMT2AGCGRICMT
SCHEMBL5135760 0.86 MEN1 (0.37) MEN1KMT2ACASR
SCHEMBL5136006 0.85 C5AR1 (0.46) MEN1KMT2A

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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed