SCHEMBL8782876

SCHEMBL8782876

Cc1ccnc2c1CCCC2OS(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL9934087 0.77 HDAC1 (0.38)
SCHEMBL17144176 0.76 ADRA1A (0.35) ADRA1AHTR2B
SCHEMBL4790662 0.73 HDAC1 (0.37)
SCHEMBL25494193 0.72 HTR2A (0.38) ADRA1AHTR2AHTR2CHTR2B
SCHEMBL17670504 0.71 MKNK1 (0.35)
SCHEMBL17549914 0.71 MKNK1 (0.35)
SCHEMBL15267544 0.71 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL11850205 0.70 ADRA1A (0.37) ADRA1AHTR2AHTR2CHTR2B
SCHEMBL8784135 0.70 UGT2B17 (0.42) HTR2AHTR2CHTR2B
SCHEMBL11522206 0.70 HTR2A (0.35) HTR2AHTR2CHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395244-B1 Pyridine derivatives WYETH JOHN & BROTHER LTD (GB) 1997-02-19 EP disclosed
US-5194439-A 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents JOHN WYETH & BROTHER LIMITED (GB) 1993-03-16 US disclosed
EP-0395244-A1 Pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed