SCHEMBL5730669

SCHEMBL5730669

CS(=O)(=O)c1c(C(N)CN)n(CC2=NCCN2)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.42
ADRA1D P25100 7/20 0.42
ADRA1B P35368 7/20 0.42
ADRA2C P18825 6/20 0.42
ADRA2A P08913 5/20 0.42
CHEK1 O14757 2/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL5730673 0.90 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5729745 0.88 ADRA1A (0.45) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730983 0.84 ADRA1A (0.45) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730482 0.84 ADRA1A (0.48) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5731220 0.83 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5729362 0.82 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730355 0.81 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730989 0.81 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5729739 0.80 ADRA1A (0.46) ADRA1AADRA1DADRA1BADRA2CADRA2A
SCHEMBL5730950 0.80 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100378095-C Substituted indoles as alpha-1 agonists HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
CN-1628113-A Substituted indoles as alpha-1 agonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 EP disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 WO disclosed