SCHEMBL22908405

SCHEMBL22908405

CC#Cc1cc(Cl)c(C2C(=O)CC3(CCN(C(=O)c4ccccc4F)CC3)CC2=O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 4/20 0.38
DRD2 P14416 3/20 0.38
ADRA1A P35348 3/20 0.38
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 2/20 0.36
CCR8 P51685 1/20 0.36
KCNH2 Q12809 1/20 0.36
MGLL Q99685 1/20 0.36
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22908538 0.88 CCR8 (0.41) LMNAHTR1ADRD2ADRA1AALDH1A1
SCHEMBL22992174 0.85 HTT (0.41) L3MBTL1LMNAALDH1A1KDM4EKMT2A
SCHEMBL22908539 0.84 CCR8 (0.47) L3MBTL1DRD2ADRA1APDE4BALDH1A1
SCHEMBL22908536 0.84 CYP2D6 (0.37) KMT2ATSHRMAPT
SCHEMBL22908552 0.84 CYP3A4 (0.44) LMNAALDH1A1SMN1; SMN2KMT2ACCR8
SCHEMBL22908431 0.84 GRM3 (0.46) L3MBTL1HTR1AALDH1A1SMN1; SMN2KMT2A
SCHEMBL22908437 0.83 MGLL (0.44) L3MBTL1LMNAHTR1ADRD2ALDH1A1
SCHEMBL22908423 0.83 BTK (0.31) KDM4EKMT2AMAPT
SCHEMBL22908447 0.82 HTR4 (0.34) PDE4BCCR8KCNH2
SCHEMBL22908541 0.82 LMNA (0.38) LMNAALDH1A1SMN1; SMN2KMT2AMGLL

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-2021009048-A1 HERBICIDAL CYCLOHEXANEDIONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed