SCHEMBL5545006

SCHEMBL5545006

CCOc1ccccc1C(=O)NC1N=CC2=CN(C(=O)c3sccc3Cl)CCC2=N1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.38
USP2 O75604 2/20 0.38
KDM4E B2RXH2 1/20 0.36
HTR7 P34969 3/20 0.35
KDM5A P29375 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL5548738 0.78 HTR7 (0.42) MAPTLMNAHTTUSP2HTR7
SCHEMBL5545010 0.77 MAPT (0.44) MAPTLMNAHTTL3MBTL1ALOX15
SCHEMBL5537988 0.70 HRH3 (0.40) MEN1KMT2AHCRTR1
SCHEMBL3532057 0.66 LMNA (0.44) MAPTLMNAHTTL3MBTL1ALOX15
SCHEMBL5547993 0.65 GRM5 (0.41) MAPTL3MBTL1MAPK1USP2ALDH1A1
SCHEMBL5546867 0.62 MEN1 (0.36) ALOX15MEN1KMT2A
SCHEMBL5546577 0.60 CHRM5 (0.38) MAPTLMNAHTTOPRK1MEN1
SCHEMBL1865443 0.59 KMT2A (0.60) MAPTLMNAL3MBTL1MAPK1KDM4E
SCHEMBL16363830 0.58 MAPK1 (1.00) MAPTLMNAHTTL3MBTL1ALOX15
SCHEMBL3498038 0.57

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-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed