SCHEMBL9641402

SCHEMBL9641402

CCC12COC(c3ccc(Cl)cc3)(OC1)OC2C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 6/20 0.39
CHRNA1 P02708 4/20 0.39
CHRNB1 P11230 4/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNG P07510 3/20 0.39
CHRND Q07001 3/20 0.39
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL9522541 0.88 SLC6A4 (0.38) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9641504 0.86 KDM1A (0.33) KDM1ARCOR1
SCHEMBL9521417 0.85 SLC6A4 (0.36) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9521421 0.83 SLC6A4 (0.35) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9522457 0.81 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9522537 0.78 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9521956 0.76 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9521002 0.75 CHRNA1 (0.39) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL9521920 0.75 TAAR1 (0.31)
SCHEMBL9523082 0.73 CNR1 (0.32)

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
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed