SCHEMBL3477435

SCHEMBL3477435

COc1cc(-c2ccc3oc(NC4CCCCC4)nc3c2)ccc1F

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.75
RPS6KA2 Q15349 2/20 0.52
PIK3CA P42336 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HCRTR1 O43613 1/20 0.46
SSTR5 P35346 5/20 0.44
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3476876 0.88 FAAH (0.77) FAAHRPS6KA2PIK3CAHDAC6SSTR5
SCHEMBL3474867 0.87 FAAH (0.69) FAAHRPS6KA2PIK3CAHDAC6HCRTR1
SCHEMBL3476698 0.86 FAAH (1.00) FAAHRPS6KA2PIK3CAHDAC6SSTR5
SCHEMBL13436720 0.85 FAAH (0.78) FAAHRPS6KA2PIK3CAHDAC6SSTR5
SCHEMBL3476435 0.84 FAAH (0.74) FAAHSSTR5HRH1
SCHEMBL3474437 0.84 FAAH (0.71) FAAHRPS6KA2PIK3CAHDAC6SSTR5
SCHEMBL3476299 0.83 FAAH (0.73) FAAHRPS6KA2PIK3CAHDAC6HCRTR1
SCHEMBL3476787 0.83 FAAH (0.72) FAAHRPS6KA2PIK3CAHDAC6SSTR5
SCHEMBL3476959 0.82 FAAH (0.74) FAAHRPS6KA2PIK3CAHDAC6SSTR5
SCHEMBL3476255 0.82 FAAH (0.62) FAAHRPS6KA2PIK3CAHDAC6HCRTR1

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
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed