SCHEMBL13436716

SCHEMBL13436716

Cn1ccc2cc(-c3ccc4oc(Nc5cccnc5)nc4c3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 1.00
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2C P28335 1/20 0.48
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL3476992 0.88 FAAH (1.00) FAAH
SCHEMBL3478143 0.87 FAAH (0.81) FAAH
SCHEMBL3477039 0.82 FAAH (1.00) FAAH
SCHEMBL13436722 0.82 FAAH (0.80) FAAH
SCHEMBL3477846 0.81 FAAH (0.76) FAAHCLK4
SCHEMBL3478203 0.80 FAAH (1.00) FAAH
SCHEMBL3478529 0.80 FAAH (1.00) FAAHMEN1KMT2A
SCHEMBL3478456 0.80 FAAH (0.72) FAAH
SCHEMBL3477560 0.79 FAAH (0.79) FAAH
SCHEMBL3477499 0.78 FAAH (0.70) FAAHCLK4

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