SCHEMBL1381741

SCHEMBL1381741

O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.53
HTR6 P50406 13/20 0.49
PIM1 P11309 1/20 0.42
MAPT P10636 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 1/20 0.40
BRAF P15056 1/20 0.40
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40

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
SCHEMBL1377794 0.85 HTR6 (0.51) HTR6MAPTHTR1D
Hydrochloric Acid SCHEMBL27585546 0.84 HTR6 (0.50) HTR6MAPTHTR1D
SCHEMBL1378215 0.83 HTR6 (0.51) HTR6MAPTFABP4FABP5
SCHEMBL1381809 0.83 HTR6 (0.49) HTR6FABP4HTR1AHTR1DHTR1B
SCHEMBL4315177 0.82 HTR6 (0.49) HTR6MAPTHTR1AHTR1DHTR1B
SCHEMBL30735820 0.82 HTR6 (0.66) HTR6MAPTHTR1AHTR1DHTR1B
SCHEMBL3609792 0.82 HTR6 (0.66) HTR6MAPTHTR1AHTR1DHTR1B
SCHEMBL1380970 0.82 MEN1 (0.49) HTR6MAPTHTR1D
SCHEMBL4313175 0.81 HTR6 (0.57) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1379250 0.81 HTR6 (0.58) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed