SCHEMBL6597228

SCHEMBL6597228

O=[N+]([O-])c1ccc2scc(C(O)CCN3CCN(c4cccc5c4OCCO5)CC3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.75
HTR7 P34969 1/20 0.56
HTR1D P28221 1/20 0.47

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
SCHEMBL6598390 0.87 HTR1A (0.82) HTR1AHTR1D
SCHEMBL6598110 0.86 HTR1A (1.00) HTR1AHTR1D
SCHEMBL6598069 0.83 HTR7 (0.58) HTR1AHTR7HTR1D
SCHEMBL6598257 0.81 HTR7 (0.57) HTR1AHTR7HTR1D
SCHEMBL6596685 0.81 HTR1A (1.00) HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL6597947 0.80 HTR1A (0.70) HTR1AHTR7HTR1D
SCHEMBL6601390 0.73 HTR1A (0.75) HTR1AHTR7HTR1D
SCHEMBL16053947 0.72 HTR7 (0.83) HTR1AHTR7HTR1D
SCHEMBL9143202 0.69 DRD2 (0.65) HTR1A
SCHEMBL13533190 0.68 HTR1A (0.68) HTR1A

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
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP claimed