SCHEMBL13436710

SCHEMBL13436710

COc1cccc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 1.00
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL13436711 0.83 FAAH (1.00) FAAHHDAC6
SCHEMBL13436780 0.81 FAAH (1.00) FAAHL3MBTL1HDAC6
SCHEMBL3476204 0.79 FAAH (1.00) FAAHKDM4EALDH1A1HPGDHDAC6
SCHEMBL3474858 0.76 FAAH (1.00) FAAH
SCHEMBL3477852 0.76 FAAH (1.00) FAAH
SCHEMBL13436692 0.75 FAAH (0.60) FAAHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4051577 0.75 SMN1; SMN2 (0.74) FAAHKDM4ENPC1ALDH1A1TP53
SCHEMBL3476173 0.75 FAAH (1.00) FAAHHDAC6
SCHEMBL3476685 0.75 FAAH (0.59) FAAHKDM4ENPC1ALDH1A1TP53
SCHEMBL3478013 0.74 FAAH (0.59) FAAHHDAC6

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