SCHEMBL5203025

SCHEMBL5203025

CSc1nc(OCc2ccc(F)cc2F)cc(=O)n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
PREP P48147 1/20 0.38
MCHR1 Q99705 5/20 0.38
HTR6 P50406 1/20 0.37
MAOB P27338 1/20 0.37
MAPK14 Q16539 9/20 0.37
GLP1R P43220 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
SCHEMBL5280738 0.83 MCHR1 (0.42) MCHR1MAOBMAPK14
SCHEMBL5204609 0.83 MCHR1 (0.38) HTR2AHTR2CSLC6A4PREPMCHR1
SCHEMBL5205590 0.81 MAOB (0.39) MAOBMAPK14
SCHEMBL5209399 0.81 MAPK14 (0.43) HTR6MAPK14
SCHEMBL5204460 0.79 NMT2 (0.40) HTR2AHTR2CSLC6A4PREPMCHR1
SCHEMBL5207452 0.79 MEN1 (0.39) MAOBMAPK14
SCHEMBL5203024 0.79 MAOB (0.37) HTR2AHTR2CSLC6A4MAOBMAPK14
SCHEMBL3526249 0.72 MAPK14 (0.49) MAOBMAPK14
SCHEMBL3521563 0.71 MAPK14 (0.55) MAOBMAPK14
SCHEMBL3523245 0.69 HTR2A (0.47) HTR2AHTR2CSLC6A4GLP1R

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