SCHEMBL3397709

SCHEMBL3397709

O=C(O)n1nc(-c2ccc(F)cn2)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.41
KCNH2 Q12809 1/20 0.36
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
F2 P00734 2/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
P4HA1 P13674 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
TGFBR1 P36897 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
SCHEMBL13426586 0.82 JAK2 (0.35) GRM5KCNH2F2TGFBR1
SCHEMBL3395630 0.82 HDAC6 (0.44) GRM5F2
SCHEMBL3392233 0.81 PTGER4 (0.39) GRM5SCDSCD5F2NPC1
SCHEMBL3397017 0.77 PKM (0.37) NPC1
SCHEMBL3431052 0.76 CNR1 (0.37) GRM5
SCHEMBL3395670 0.70 SORT1 (0.32) GRM5F2
SCHEMBL3394445 0.69 ALPL (0.43) NPC1RXFP1
SCHEMBL3395758 0.69 GRK6 (0.41)
SCHEMBL3394902 0.68 GSK3B (0.39)
SCHEMBL13425918 0.67 TRPA1 (0.38) GRM5

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed