SCHEMBL4310090

SCHEMBL4310090

Cc1cccc(S(=O)(=O)c2cccc(C)c2S(=O)(=O)n2ccc3c(N4CCNCC4)cccc32)c1S(=O)(=O)n1ccc2c(N3CCNCC3)cccc21

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 19/20 0.65
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ ADRB1 P08588 1/20 0.44

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
SCHEMBL4313475 0.88 HTR6 (0.76) HTR6HTR1ADRD2HTR2AADRB1
Hydrochloric Acid SCHEMBL6521961 0.87 HTR6 (0.74) HTR6HTR1ADRD2HTR2AADRB1
SCHEMBL4304527 0.84 HTR6 (0.69) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4309981 0.84 HTR6 (0.77) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4306549 0.83 HTR6 (0.68) HTR6HTR1ADRD2HTR2A
SCHEMBL4310095 0.82 HTR6 (0.64) HTR6HTR1ADRD2HTR2A
SCHEMBL5698325 0.81 HTR6 (0.76) HTR6HTR1ADRD2HTR2A
SCHEMBL5698353 0.81 HTR6 (0.70) HTR6HTR1ADRD2HTR2A
SCHEMBL4312550 0.80 HTR6 (0.82) HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL4309960 0.80 HTR6 (0.74) 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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