SCHEMBL9230201

SCHEMBL9230201

Fc1ccc(C2(Br)OCO2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CCR2 P41597 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL9225480 0.76 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL14244552 0.76 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL9224799 0.72 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL1446220 0.69 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL30773513 0.67 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL4800951 0.65 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL5234404 0.64 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL23231379 0.64 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL23215170 0.64 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL30034514 0.64 SLC6A4 (0.52) SLC6A3SLC6A2SLC6A4

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-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0008732-A2 Fluorine-containing esters of phenylacetic acids, process for their preparation and their use as insecticides and acaricides; intermediate products for their preparation BAYER AG (DE) 1980-03-19 EP disclosed