SCHEMBL13848629

SCHEMBL13848629

CCC(C)c1nc(-c2ccccc2)co1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.44
ENPP1 P22413 6/20 0.44
HSD11B1 P28845 3/20 0.44
ADORA1 P30542 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
NR3C2 P08235 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 2/20 0.36
F7 P08709 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13744630 0.85 ENPP3 (0.42) ENPP3ENPP1HSD11B1ADORA1ADORA3
SCHEMBL13744438 0.83 CYP2A6 (0.42) TP53MEN1RAB9AKMT2ALMNA
SCHEMBL10052155 0.82 ENPP3 (0.45) ENPP3ENPP1HSD11B1ADORA1ADORA3
SCHEMBL21180807 0.79 ENPP3 (0.43) ENPP3ENPP1HSD11B1DAGLANR3C2
SCHEMBL6668389 0.79 ENPP3 (0.43) ENPP3ENPP1HSD11B1ADORA1DAGLA
SCHEMBL30765909 0.79 ENPP3 (0.43) ENPP3ENPP1HSD11B1ADORA1ADORA2A
SCHEMBL13744775 0.78 ADORA1 (0.38) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL30003076 0.72 PGR (0.40) ENPP3ENPP1HSD11B1ADORA1ADORA3
SCHEMBL13484363 0.72 CYP2D6 (0.36)
SCHEMBL9880273 0.72 S1PR1 (0.50) ENPP3ENPP1HSD11B1DAGLAMEN1

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
EP-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed