SCHEMBL4306121

SCHEMBL4306121

O=S(=O)(c1cccnc1)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.75
▸ HTR1A P08908 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ HTR2A P28223 1/20 0.56

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 SCHEMBL4313931 0.99 HTR6 (0.73) HTR6HTR1ADRD2HTR2A
SCHEMBL1136504 0.86 HTR6 (1.00) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL1537862 0.85 HTR6 (0.97) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4316248 0.85 HTR6 (0.97) HTR6HTR1ADRD2HTR2A
SCHEMBL4322582 0.82 HTR6 (0.91) HTR6HTR1ADRD2HTR2A
SCHEMBL3616343 0.82 HTR6 (0.77) HTR6
SCHEMBL1136472 0.81 HTR6 (1.00) HTR6HTR1ADRD2HTR2A
SCHEMBL14359363 0.81 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
SCHEMBL5698358 0.81 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4310981 0.81 HTR6 (0.89) HTR6HTR1ADRD2HTR2A

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
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 — — US claimed
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