SCHEMBL2373630

SCHEMBL2373630

CC(C)COC(=O)N1CCc2c1ccc(Br)c2F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
P2RX4 Q99571 1/20 0.38
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
NOTUM Q6P988 2/20 0.36
IDO1 P14902 3/20 0.36
KCNH2 Q12809 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
ABHD6 Q9BV23 1/20 0.36
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
UCHL1 P09936 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
SCHEMBL2373892 0.85 NOTUM (0.45) GPR119P2RX4SCN9ASCN10ANOTUM
SCHEMBL2373984 0.80 NOTUM (0.60) P2RX4SCN9ASCN10ANOTUMPTGDR2
SCHEMBL30659341 0.80 NPC1 (0.58) GPR119P2RX4NOTUMPTGDR2MEN1
SCHEMBL868890 0.79 GPR119 (0.53) GPR119NOTUMABHD6MEN1KMT2A
SCHEMBL2374492 0.78 GPR119 (0.37) GPR119P2RX4SCN9ASCN10ANOTUM
SCHEMBL23042881 0.76 NOTUM (0.42) GPR119NOTUMHPGD
SCHEMBL2373407 0.75 NOTUM (0.60) P2RX4SCN9ASCN10ANOTUMNPC1
SCHEMBL2373819 0.75 ABHD6 (0.59) GPR119NOTUMABHD6NPC1RAB9A
SCHEMBL16654243 0.73 CYP3A4 (0.36) GPR119SCN9ASCN10AIDO1KCNH2
SCHEMBL2778816 0.71 NPC1 (0.64) P2RX4NOTUMMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed
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