SCHEMBL29907647

SCHEMBL29907647

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.49
▸ CNR1 P21554 5/20 0.49
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 3/20 0.42
▸ GABRA1 P14867 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ CALM1 P0DP23 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34

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
SCHEMBL29907756 0.89 CNR2 (0.50) CNR2CNR1BCHEACHEGABRA1
SCHEMBL29907705 0.82 CNR2 (0.44) CNR2CNR1BCHEACHEGABRA1
SCHEMBL23370322 0.74 ESR1 (0.40) CNR2CNR1LMNAESR1
SCHEMBL29617914 0.72 ESR1 (0.43) CNR2CNR1ALDH1A1HTTESR1
SCHEMBL23370327 0.72 ESR1 (0.43) CNR2CNR1ALDH1A1HTTESR1
SCHEMBL24854462 0.69 ESR1 (0.36) CNR2CNR1ESR1
SCHEMBL29907751 0.69 ADORA2A (0.39) CNR2ALDH1A1HTTESR1
SCHEMBL24853757 0.68 ADORA2A (0.34) ESR1
SCHEMBL9917500 0.67 CNR2 (1.00) CNR2CNR1BCHEACHEGABRA1
SCHEMBL24854536 0.66 BUB1 (0.35) ESR1

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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