SCHEMBL31337786

SCHEMBL31337786

COC(=O)c1ccc(F)c(N2CCC(F)(F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.39
WHR1 P49842 2/20 0.39
TRPV3 Q8NET8 1/20 0.39
SCN10A Q9Y5Y9 6/20 0.38
ACACB O00763 1/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 2/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNN4 O15554 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL26151360 0.86 WHR1 (0.46) CRBNWHR1SCN10ADPP4MAPT
SCHEMBL31337782 0.86 MBOAT4 (0.43) CRBNWHR1SCN10ADPP4MAPT
SCHEMBL31337772 0.82 GSK3A (0.41) TRPV3SCN10AMAPTCNR2
SCHEMBL31337784 0.82 GSK3A (0.41) TRPV3SCN10AMAPTCNR2
SCHEMBL20746083 0.76 CRBN (0.59) CRBNSCN10AACACBKCNQ3KCNQ2
SCHEMBL23612212 0.74 SCN10A (0.41) WHR1SCN10ADPP4CNR2
SCHEMBL3250402 0.74 SCN10A (0.41) WHR1SCN10ADPP4CNR2
SCHEMBL26151361 0.74 WHR1 (0.49) WHR1SCN10AKCNQ3KCNQ2
SCHEMBL14152523 0.73 CNR2 (0.43) CRBNACACBDPP4CNR2
SCHEMBL31299018 0.73 DRD2 (0.40) CRBNWHR1SCN10ADPP4KCNQ3

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-2025020624-A1 BENZENE RING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 捷思英达控股有限公司 2025-01-30 WO disclosed