SCHEMBL1386935

SCHEMBL1386935

CCCCOC(=O)NC1CCN(CCn2cc3c(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.39
KCNH2 Q12809 2/20 0.39
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
HTR2A P28223 2/20 0.36
CACNA1F O60840 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 1/20 0.36
CNR1 P21554 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 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
SCHEMBL1386457 0.96 SSTR5 (0.39) SSTR5KCNH2CSNK1DCSNK1EHRH2
SCHEMBL2926287 0.88 NPY5R (0.41) SSTR5KCNH2CSNK1DCSNK1EMAPK14
SCHEMBL2926317 0.85 NPY5R (0.40) SSTR5KCNH2CSNK1DCSNK1EMAPK14
SCHEMBL1385679 0.83 MAPK14 (0.39) KCNH2CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL2929523 0.81 MAPK14 (0.39) KCNH2CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL1386590 0.80 NPC1 (0.40) KCNH2CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL29652668 0.80 CSNK1D (0.38) KCNH2CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL1386122 0.79 MAPK14 (0.48) KCNH2CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL1383826 0.79 MAPK14 (0.39) CSNK1DCSNK1EMAPK14MAPK11
SCHEMBL2929529 0.78 MAPK14 (0.52) CSNK1DCSNK1EMAPK14MAPK11RECQL

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
JP-4814783-B2 2011-11-16 JP claimed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed