SCHEMBL9523302

SCHEMBL9523302

FC(F)(F)C1OC2(c3ccc(Cl)cc3)OCC1(C1CCCCC1)CO2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
KDM1A O60341 1/20 0.30
TRPA1 O75762 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
SCHEMBL9521532 0.88
SCHEMBL10762012 0.77
SCHEMBL9667469 0.74 SLC6A3 (0.38) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL9667397 0.72 SLC6A3 (0.39) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL9522990 0.72
SCHEMBL10875957 0.72 GRIN1 (0.42) OPRM1OPRL1MAOAMAOB
SCHEMBL9522318 0.71 CHRNA1 (0.32) MAOAMAOBKDM1A
SCHEMBL9523035 0.68 CHRM2 (0.31)
SCHEMBL10761907 0.63
SCHEMBL9522244 0.63 CHRM2 (0.30)

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