SCHEMBL29907669

SCHEMBL29907669

Fc1cnc(Oc2cccc3c(OCC4COC4)nn(CCCC(F)(F)F)c23)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 2/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ HTR4 Q13639 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ GRM4 Q14833 4/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL29907740 0.93 GRM4 (0.41) HTR2BHTR3AHTR4HTR2AHTR2C
SCHEMBL24854557 0.80 ADORA2A (0.30) ADORA2A
SCHEMBL29907662 0.80 ADORA2A (0.30) ADORA2A
SCHEMBL29907770 0.80 PTGDR2 (0.32) ADORA2A
SCHEMBL24854569 0.80 PTGDR2 (0.32) ADORA2A
SCHEMBL24853719 0.80 ESR1 (0.32) ADORA2A
SCHEMBL29907705 0.78 CNR2 (0.44) CNR1ACHECNR2ADORA2A
SCHEMBL24853757 0.76 ADORA2A (0.34) ADORA2A
SCHEMBL23370304 0.73 CYP1A2 (0.33) ADORA2A
SCHEMBL29814445 0.73 CYP1A2 (0.33) ADORA2A

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
Send feedback