SCHEMBL9522318

SCHEMBL9522318

CCCC12COC(c3ccc(Cl)cc3)(OC1)OC2C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.32
CHRNG P07510 2/20 0.32
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
SLC6A2 P23975 2/20 0.32
CHRNB4 P30926 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRND Q07001 2/20 0.32
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
KDM1A O60341 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
SCHEMBL9522419 0.88
SCHEMBL9400070 0.88
SCHEMBL9521786 0.86
SCHEMBL9522106 0.85
SCHEMBL9523380 0.85 SLC6A4 (0.33) SLC6A4
SCHEMBL9521358 0.83
SCHEMBL9522095 0.81
SCHEMBL9522541 0.81 SLC6A4 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9207984 0.80 CYP3A4 (0.33)
SCHEMBL9667858 0.74 SLC6A4 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP claimed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP claimed
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP disclosed
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 EP disclosed