SCHEMBL9250075

SCHEMBL9250075

Fc1cc([Mg]Br)ccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.46
PDE2A O00408 5/20 0.43
SLC7A5 Q01650 1/20 0.35
FAAH O00519 1/20 0.33
CTSK P43235 1/20 0.32
NAAA Q02083 1/20 0.32
ABL1 P00519 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
GRM2 Q14416 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL3151764 0.85 EPHX2 (0.36) EPHX2PDE2AGRM2
SCHEMBL929959 0.77 RAB9A (0.46)
SCHEMBL30883901 0.77 RAB9A (0.46)
SCHEMBL425877 0.75 EPHX2 (0.50) EPHX2PDE2ASLC7A5
SCHEMBL29855116 0.75 EPHX2 (0.50) EPHX2PDE2ASLC7A5
SCHEMBL9013336 0.75
SCHEMBL12566385 0.74 EPHX2 (0.53) EPHX2PDE2ASLC7A5
SCHEMBL6142235 0.73 CA12 (0.31)
SCHEMBL2093568 0.72 EPHX2 (0.51) EPHX2PDE2ASLC7A5FAAHCTSK
SCHEMBL1253983 0.71 EPHX2 (0.54) EPHX2PDE2ASLC7A5FAAHCTSK

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
CN-117881664-A Cycloalkyl 3-oxopiperazine carboxamides and cycloheteroalkyl 3-oxopiperazine carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2024-04-12 CN disclosed
US-5468421-A Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1995-11-21 US disclosed