SCHEMBL23822906

SCHEMBL23822906

CNC(=O)CN1CC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CNR2 P34972 2/20 0.32
KDM1A O60341 1/20 0.32
LMNA P02545 2/20 0.31
MCL1 Q07820 1/20 0.31
POLB P06746 2/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLS O94925 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL12311368 0.85 HRH3 (0.36) CHRM5CHRM3ALDH1A1CNR2POLB
SCHEMBL19010253 0.80 CHRM5 (0.40) CHRM5CHRM3ALDH1A1CNR2POLB
SCHEMBL26882750 0.79 CACNA1H (0.48) ALDH1A1LMNAGAA
SCHEMBL13214851 0.75 ALDH1A1 (0.46) CHRM5CHRM3ALDH1A1POLB
SCHEMBL14671225 0.73 HSD17B10 (0.41) ALDH1A1GAA
SCHEMBL17176291 0.72 PIK3R1 (0.38) CHRM5CHRM3ALDH1A1POLBCYP2C19
SCHEMBL23962914 0.72 SMN1; SMN2 (0.40) LMNA
SCHEMBL6039740 0.71
SCHEMBL6218142 0.71 ALDH1A1 (0.59) CHRM5CHRM3ALDH1A1POLBGAA
SCHEMBL18743856 0.71 ALDH1A1 (0.34) CHRM5CHRM3ALDH1A1LMNAMCL1

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-2021180235-A1 INHIBITOR OF ENHANCER OF ZESTE HOMOLOGUE 2, AND USE THEREOF 四川海思科制药有限公司 2021-09-16 WO disclosed