SCHEMBL25781908

SCHEMBL25781908

O=C(NCc1cccc(C(F)(F)F)c1)c1ncnn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.66
MAPK14 Q16539 1/20 0.53
MLYCD O95822 1/20 0.52
MEN1 O00255 1/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL25781800 0.91 CCR1 (0.54) CCR1MLYCD
SCHEMBL25782302 0.88 CCR1 (0.52) CCR1MAPK14
SCHEMBL25781909 0.88 CCR1 (0.55) CCR1MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL25782010 0.87 CCR1 (0.51) CCR1CYP3A4
SCHEMBL25781801 0.87 CCR1 (0.53) CCR1MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL25782008 0.86 CCR1 (0.50) CCR1MAPK14
SCHEMBL25782009 0.86 CCR1 (0.50) CCR1MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL25782011 0.86 CCR1 (0.50) CCR1
SCHEMBL25781802 0.86 CCR1 (0.52) CCR1MAPK14MLYCDMEN1PLA2G1B
SCHEMBL25781389 0.85 SRC (0.49) CCR1

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-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed