SCHEMBL9681319

SCHEMBL9681319

CCc1cc(C=Cc2nc3c(F)cccc3o2)c(OCc2ccccc2)nc1COCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
UTRN P46939 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL9681317 1.00 DAGLA (0.34) DAGLAHCAR2UTRNHTR2B
SCHEMBL9680900 0.89 HCAR2 (0.32) HCAR2
SCHEMBL9680902 0.89 HCAR2 (0.32) HCAR2
SCHEMBL9449238 0.86 ATP4A (0.40) UTRN
SCHEMBL9449235 0.86 ATP4A (0.40) UTRN
SCHEMBL9681900 0.81 HCAR2 (0.32) HCAR2
SCHEMBL9680291 0.81 HCAR2 (0.32) HCAR2
SCHEMBL9449173 0.75 ALDH1A1 (0.44) HCAR2
SCHEMBL9846410 0.74 L3MBTL1 (0.39) HCAR2
SCHEMBL9846413 0.74 L3MBTL1 (0.39) HCAR2

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
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed