SCHEMBL11221291

SCHEMBL11221291

O=C(OCCN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 13/20 0.56
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ UTS2R Q9UKP6 2/20 0.49
▸ TMEM97 Q5BJF2 3/20 0.48

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
SCHEMBL13696699 0.83 NPY5R (0.49) NPY5RGAATSHRNPSR1TDP1
Tiaramide SCHEMBL29376518 0.82 NPY5R (0.58) NPY5RGAATSHRNPSR1TMEM97
Tiaramide SCHEMBL25172 0.82 NPY5R (0.58) NPY5RGAATSHRNPSR1TMEM97
SCHEMBL11403158 0.82 NPY5R (0.52) NPY5RGAATSHRNPSR1TMEM97
SCHEMBL13696444 0.81 NPY5R (0.61) NPY5RGAATSHRNPSR1TDP1
Tiaramide SCHEMBL29379184 0.81 NPY5R (0.58) NPY5RGAATSHRNPSR1TMEM97
Tiaramide SCHEMBL181916 0.81 NPY5R (0.58) NPY5RGAATSHRNPSR1TMEM97
SCHEMBL13696442 0.81 NPY5R (0.49) NPY5RGAATSHRNPSR1TDP1
SCHEMBL8894950 0.81 TMEM97 (0.58) NPY5RGAATSHRNPSR1CYP3A4
SCHEMBL11408981 0.78 NPY5R (0.57) NPY5RGAATSHRNPSR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57165376-A — — None — — JP disclosed
JP-S57165376-A NOVEL 2-BENZOTHIAZOLINONE DERIVATIVE AND ITS PREPARATION KANO SHINZO 1982-10-12 — — JP disclosed
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