SCHEMBL8902755

SCHEMBL8902755

C=CCN(C)CCC1CCN(C(=O)Cn2c(=O)sc3ccc(Br)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 17/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39

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
Hydrochloric Acid SCHEMBL8902347 0.91 NPY5R (0.44) NPY5RSIGMAR1NPY1RGAATSHR
SCHEMBL8902751 0.81 NPY5R (0.45) NPY5RNPY1RGAATSHRNPSR1
SCHEMBL8893932 0.81 NPY5R (0.51) NPY5RNPY1RGAATSHRNPSR1
Hydrochloric Acid SCHEMBL8902276 0.80 LSS (0.35) NPY5RNPY1RGAATSHRNPSR1
SCHEMBL8902528 0.78 GAA (0.48) NPY5RSIGMAR1GAATSHRNPSR1
SCHEMBL8903391 0.78 GAA (0.53) NPY5RSIGMAR1GAATSHRNPSR1
SCHEMBL8902759 0.77 SIGMAR1 (0.36) SIGMAR1
Hydrochloric Acid SCHEMBL8893467 0.77 TMEM97 (0.47) NPY5RNPY1RGAATSHRNPSR1
SCHEMBL8902714 0.75 GAA (0.50) NPY5RSIGMAR1GAATSHRNPSR1
SCHEMBL13597124 0.71 NPY5R (0.70) 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 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 claimed
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