SCHEMBL3476876

SCHEMBL3476876

COc1cc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.77
HDAC6 Q9UBN7 1/20 0.51
PIK3CA P42336 1/20 0.51
SSTR5 P35346 4/20 0.46
RPS6KA2 Q15349 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 1/20 0.44

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
SCHEMBL3477435 0.88 FAAH (0.75) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3474867 0.88 FAAH (0.69) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3476698 0.87 FAAH (1.00) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3476787 0.86 FAAH (0.72) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL13436720 0.86 FAAH (0.78) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3474437 0.85 FAAH (0.71) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3476435 0.85 FAAH (0.74) FAAHSSTR5
SCHEMBL13436719 0.85 FAAH (0.67) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3476299 0.84 FAAH (0.73) FAAHHDAC6PIK3CASSTR5RPS6KA2
SCHEMBL3476959 0.83 FAAH (0.74) FAAHHDAC6PIK3CASSTR5RPS6KA2

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