SCHEMBL13436719

SCHEMBL13436719

COc1cc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc2c1OC(C)O2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.67
PIK3CA P42336 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
RPS6KA2 Q15349 1/20 0.41
SSTR5 P35346 6/20 0.40
SSTR1 P30872 1/20 0.40
HRH1 P35367 1/20 0.40
HCRTR1 O43613 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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 0.85 FAAH (0.77) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL13436720 0.82 FAAH (0.78) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3477435 0.82 FAAH (0.75) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476698 0.81 FAAH (1.00) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476787 0.80 FAAH (0.72) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3474437 0.79 FAAH (0.71) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476435 0.79 FAAH (0.74) FAAHSSTR5SSTR1HRH1
SCHEMBL3476299 0.79 FAAH (0.73) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3474867 0.78 FAAH (0.69) FAAHPIK3CAHDAC6RPS6KA2SSTR5
SCHEMBL3476959 0.77 FAAH (0.74) FAAHPIK3CAHDAC6RPS6KA2SSTR5

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