SCHEMBL23212111

SCHEMBL23212111

Oc1ccc(C(F)(F)F)cc1OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.45
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ LIPG Q9Y5X9 2/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ LPL P06858 1/20 0.42
▸ SLC6A9 P48067 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ LIPC P11150 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ IDH2 P48735 2/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ PDE4D Q08499 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL2304488 0.83 SCN8A (0.43) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL14145363 0.81 SCN8A (0.42) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL14145336 0.81 SCN8A (0.42) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL23212110 0.81 SCN8A (0.45) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL29950883 0.81 SLC6A9 (0.43) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL1438650 0.79 SCN8A (0.43) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL25511137 0.78 RXRA (0.43) SCN8ASCN10ALIPGLPLSLC6A9
SCHEMBL25025001 0.76 MAPT (0.47) SCN8ASCN10APDE4BLMNAPDE4D
SCHEMBL31053867 0.76 MAPT (0.47) SCN8ASCN10APDE4BLMNAPDE4D
SCHEMBL6461922 0.76 SIRT1 (0.44) SIRT1PDE4BPTGDR2PTGER1HTR2A

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-2021068179-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-04-15 — — WO disclosed
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