SCHEMBL5204460

SCHEMBL5204460

CN(C)CCNc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
MAPK14 Q16539 5/20 0.36
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
MCHR1 Q99705 3/20 0.35
PREP P48147 1/20 0.35
P2RX7 Q99572 2/20 0.34
KAT2B Q92831 1/20 0.34
HTR6 P50406 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
PCSK9 Q8NBP7 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
SCHEMBL5236197 0.83 MAPK14 (0.41) NMT2NMT1HTR2AHTR2CSLC6A4
SCHEMBL5240413 0.83 NMT2 (0.42) NMT2NMT1HTR2AHTR2CSLC6A4
SCHEMBL5207062 0.81 MAPK14 (0.38) NMT2NMT1MAPK14KAT2BCDC25A
SCHEMBL5203025 0.79 HTR2A (0.38) HTR2AHTR2CSLC6A4MAPK14MCHR1
SCHEMBL5204609 0.77 MCHR1 (0.38) HTR2AHTR2CSLC6A4MAPK14MCHR1
SCHEMBL5207713 0.69 MAPK14 (0.44) MAPK14
SCHEMBL5280738 0.67 MCHR1 (0.42) MAPK14MCHR1
SCHEMBL5205590 0.67 MAOB (0.39) MAPK14
SCHEMBL5209399 0.65 MAPK14 (0.43) MAPK14HTR6
SCHEMBL3522561 0.65 MAPK14 (0.59) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed