SCHEMBL3474444

SCHEMBL3474444

CCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1OCC

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.69
SSTR5 P35346 9/20 0.53
HRH1 P35367 3/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 2/20 0.50
PIK3CA P42336 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SSTR1 P30872 1/20 0.50

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
SCHEMBL3476435 0.95 FAAH (0.74) FAAHSSTR5HRH1HTR2BKCNH2
SCHEMBL13436762 0.89 FAAH (0.60) FAAHSSTR5HRH1KCNH2PIK3CA
SCHEMBL3476092 0.88 FAAH (0.59) FAAHSSTR5HRH1KCNH2PIK3CA
SCHEMBL3477055 0.88 FAAH (0.62) FAAHSSTR5HRH1HTR2BKCNH2
SCHEMBL3477431 0.82 FAAH (0.70) FAAHSSTR5HRH1HTR2BKCNH2
SCHEMBL3474864 0.82 FAAH (0.67) FAAHSSTR5HRH1HTR2BKCNH2
SCHEMBL3476698 0.81 FAAH (1.00) FAAHSSTR5HRH1HTR2BKCNH2
SCHEMBL3476876 0.81 FAAH (0.77) FAAHSSTR5PIK3CAHDAC6
SCHEMBL3477435 0.80 FAAH (0.75) FAAHSSTR5HRH1PIK3CAHDAC6
SCHEMBL13436720 0.80 FAAH (0.78) FAAHSSTR5HRH1HTR2BKCNH2

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