SCHEMBL9523035

SCHEMBL9523035

CC1OC2(c3ccc(Br)cc3)OCC1(C1CCCCC1)CO2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.31
CHRM4 P08173 9/20 0.31
CHRM5 P08912 9/20 0.31
CHRM1 P11229 9/20 0.31
CHRM3 P20309 9/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
TAAR1 Q96RJ0 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 0.80
SCHEMBL9522244 0.80 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9668882 0.76 NPC1 (0.32) TAAR1
SCHEMBL10761907 0.75
SCHEMBL9523204 0.73 TAAR1 (0.31) TAAR1
SCHEMBL9641504 0.72 KDM1A (0.33) TAAR1
SCHEMBL9523700 0.72 TAAR1 (0.32) TAAR1
SCHEMBL9521920 0.70 TAAR1 (0.31) TAAR1
SCHEMBL9522128 0.69
SCHEMBL9521951 0.69 ALDH1A1 (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