SCHEMBL9520751

SCHEMBL9520751

O=C(O)C=CC(=O)OC1CCN(C(=O)Cn2c(=O)sc3cccc(Cl)c32)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.43
▸ NPY5R Q15761 15/20 0.43
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9520739 1.00 CHRM5 (0.43) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9521328 0.85 CHRM5 (0.46) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9520022 0.85 CHRM5 (0.45) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9520031 0.85 CHRM5 (0.45) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9521025 0.85 CHRM5 (0.44) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9519676 0.84 CHRM5 (0.46) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9519974 0.82 TDP1 (0.51) CHRM5NPY5RTDP1GAATSHR
SCHEMBL9519555 0.81 NPY5R (0.51) NPY5R
SCHEMBL9522608 0.81 NPY5R (0.60) NPY5R
SCHEMBL9519550 0.81 NPY5R (0.51) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288973-B1 BENZOTHIAZOLINONE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITION Fujisawa Astra Ltd. (JP) 1993-01-13 — — EP disclosed
US-4879301-A Antiallergic and antiinflammatory benzothiazolinone derivatives HOEI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 — — US disclosed
EP-0288973-A2 Benzothiazolinone derivatives, their production and pharmaceutical composition Fujisawa Astra Ltd. (JP) 1988-11-02 — — EP disclosed
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