SCHEMBL3474913

SCHEMBL3474913

COc1cc(-c2ccc3oc(N4C=C5CC=CC=C5C4)nc3c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.58
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.33
GAK O14976 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CHRNA7 P36544 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL3476685 0.84 FAAH (0.59) FAAHMAPT
SCHEMBL3477385 0.82 FAAH (0.58) FAAH
SCHEMBL3476242 0.78 FAAH (0.44) FAAH
SCHEMBL3476542 0.78 PTGES (0.33) FAAHMAPT
SCHEMBL3476078 0.77 FAAH (0.46) FAAH
SCHEMBL13436711 0.74 FAAH (1.00) FAAHHRH3
SCHEMBL3475486 0.64 FAAH (0.69) FAAHHRH3IRAK4AAK1
SCHEMBL30626327 0.63 LOX (0.55) FAAHMAPTCHRNA7AAK1S1PR1
SCHEMBL16116782 0.63 LOX (0.55) FAAHMAPTCHRNA7AAK1S1PR1
SCHEMBL3391926 0.61 AAK1 (0.48) FAAHIRAK4CHRNA7AAK1S1PR1

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