SCHEMBL3716786

SCHEMBL3716786

FC(F)(F)c1cc(OCC2CC2)ccc1-c1cc(CCl)on1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
FFAR1 O14842 1/20 0.35
CNR2 P34972 1/20 0.34
CXCR1 P25024 1/20 0.34
TRPA1 O75762 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
SCN9A Q15858 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
SCHEMBL3724820 0.84 LMNA (0.41) PDK2KCNH2NPC1RAB9ASCN9A
SCHEMBL3718958 0.82 ACACB (0.39) PDK2KCNH2NPC1RAB9A
SCHEMBL3728740 0.82 L3MBTL1 (0.36) KCNH2NPC1RAB9ASCN9A
SCHEMBL3723404 0.81 GPR3 (0.37) KCNH2NPC1RAB9ASCN9A
SCHEMBL1220435 0.81 MAPT (0.41) NPC1RAB9A
SCHEMBL3717968 0.81 MAOB (0.41) KCNH2NPC1RAB9A
SCHEMBL542216 0.77 KCNH2 (0.42) CNR2TRPA1KCNH2NPC1RAB9A
SCHEMBL1220445 0.76 KCNH2 (0.51) KCNH2
SCHEMBL3721640 0.74 KCNH2 (0.39) KCNH2NPC1RAB9A
SCHEMBL3721862 0.74 CACNA1G (0.42) KCNH2NPC1RAB9A

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-2010081149-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed