SCHEMBL2373892

SCHEMBL2373892

CC(C)COC(=O)N1CCc2c1ccc(Br)c2Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.45
GPR119 Q8TDV5 5/20 0.41
KIT P10721 1/20 0.39
P2RX4 Q99571 1/20 0.38
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.33
UCHL1 P09936 1/20 0.33
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL2373630 0.85 GPR119 (0.43) NOTUMGPR119P2RX4MEN1HPGD
SCHEMBL2373407 0.80 NOTUM (0.60) NOTUMP2RX4NPC1RAB9AL3MBTL1
SCHEMBL869312 0.79 GPR119 (0.50) NOTUMGPR119MEN1KMT2AHTR2A
SCHEMBL2373819 0.75 ABHD6 (0.59) NOTUMGPR119NPC1RAB9AL3MBTL1
SCHEMBL2373984 0.75 NOTUM (0.60) NOTUMP2RX4NPC1RAB9AL3MBTL1
SCHEMBL2778816 0.71 NPC1 (0.64) NOTUMP2RX4MEN1KMT2ANPC1
SCHEMBL2375293 0.71 EIF2AK3 (0.51)
SCHEMBL2374492 0.69 GPR119 (0.37) NOTUMGPR119P2RX4MEN1HPGD
SCHEMBL18392313 0.68 PDK1 (0.50) HPGD
SCHEMBL7653263 0.68 NOTUM (0.70) NOTUMGPR119HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed