SCHEMBL9520732

SCHEMBL9520732

O=C(O)CCC(=O)OC1CCCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.53
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ UTS2R Q9UKP6 2/20 0.49
▸ NPY1R P25929 1/20 0.45

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
SCHEMBL9519586 0.93 NPY5R (0.45) NPY5RCYP3A4CYP2D6OPRK1UTS2R
SCHEMBL9519772 0.89 NPY5R (0.61) NPY5RCYP3A4CYP2D6OPRK1UTS2R
SCHEMBL9521409 0.82 CHRM5 (0.40) NPY5RCYP3A4CYP2D6OPRK1UTS2R
SCHEMBL9522609 0.82 CHRM5 (0.38) NPY5RCYP3A4CYP2D6OPRK1UTS2R
SCHEMBL9519612 0.82 NPY5R (0.51) NPY5RNPY1R
SCHEMBL9520865 0.81 NPY5R (0.59) NPY5RCYP3A4CYP2D6OPRK1UTS2R
SCHEMBL9519595 0.76 NPY5R (0.62) NPY5RNPY1R
SCHEMBL11594943 0.76 NPY5R (0.62) NPY5RNPY1R
SCHEMBL10595801 0.75 NPY5R (0.65) NPY5RNPY1R
SCHEMBL9520205 0.75 NPY5R (0.61) NPY5RNPY1R

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 6 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 claimed
US-4879301-A Antiallergic and antiinflammatory benzothiazolinone derivatives HOEI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 — — US claimed
EP-0288973-A2 Benzothiazolinone derivatives, their production and pharmaceutical composition Fujisawa Astra Ltd. (JP) 1988-11-02 — — EP claimed
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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