SCHEMBL29907756

SCHEMBL29907756

COc1ccc(COc2nn(CCCC(F)(F)F)c3c(OC)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.50
▸ CNR1 P21554 5/20 0.50
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 3/20 0.42
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 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
SCHEMBL29907705 0.91 CNR2 (0.44) CNR2CNR1BCHEACHEGABRA1
SCHEMBL29907647 0.89 CNR2 (0.49) CNR2CNR1BCHEACHEGABRA1
SCHEMBL23370317 0.78 HASPIN (0.41) CNR2ALDH1A1HTTADORA2A
SCHEMBL29907751 0.77 ADORA2A (0.39) CNR2ALDH1A1HTTADORA2A
SCHEMBL23370329 0.77 ADORA2A (0.39) CNR2ALDH1A1HTTADORA2A
SCHEMBL24853757 0.75 ADORA2A (0.34) ADORA2A
SCHEMBL23370303 0.74 ADORA2A (0.37) CNR2LMNAHTTNPSR1ADORA2A
SCHEMBL24854536 0.73 BUB1 (0.35) ADORA2A
SCHEMBL23370302 0.70 ADORA2A (0.35) CNR2CNR1ADORA2A
SCHEMBL29617945 0.70 ESR1 (0.34) LMNAHTTADORA2A

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-2022207482-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-10-06 — — WO disclosed
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