SCHEMBL8894950

SCHEMBL8894950

O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
OPRK1 P41145 1/20 0.58
UTS2R Q9UKP6 1/20 0.58
NPY5R Q15761 15/20 0.56
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
Tiaramide SCHEMBL25172 0.89 NPY5R (0.58) TMEM97NPY5RGAATSHRNPSR1
Tiaramide SCHEMBL29376518 0.89 NPY5R (0.58) TMEM97NPY5RGAATSHRNPSR1
SCHEMBL13696444 0.88 NPY5R (0.61) TMEM97NPY5RGAATSHRNPSR1
Tiaramide SCHEMBL29379184 0.88 NPY5R (0.58) TMEM97NPY5RGAATSHRNPSR1
Tiaramide SCHEMBL181916 0.88 NPY5R (0.58) TMEM97NPY5RGAATSHRNPSR1
SCHEMBL11408981 0.84 NPY5R (0.57) TMEM97NPY5RGAATSHRNPSR1
SCHEMBL8902235 0.84 NPY5R (0.56) TMEM97NPY5RGAATSHRNPSR1
SCHEMBL10547671 0.83 NPY5R (0.61) TMEM97NPY5RGAATSHRNPSR1
SCHEMBL11403158 0.83 NPY5R (0.52) TMEM97NPY5RGAATSHRNPSR1
Hydrochloric Acid SCHEMBL10545744 0.82 NPY5R (0.60) TMEM97NPY5RGAATSHRNPSR1

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
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 WO disclosed