Sugi Predict

Sugi Predict / Compounds / SCHEMBL4440734

SCHEMBL4440734

SCHEMBL4440734

CC(C)COC(=O)N1CCN(CCc2cc3c(cn2)OCCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ KCNH2 Q12809 11/20 0.40
▸ SLC2A1 P11166 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3205594 0.83 CHRM2 (0.41) KCNH2
SCHEMBL5747972 0.78 JAK2 (0.35) KCNH2
SCHEMBL5747052 0.77 KCNH2 (0.36) KCNH2
SCHEMBL5656515 0.72 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL5748093 0.71 ALDH1A1 (0.38) KCNH2SLC2A1ALDH1A1
SCHEMBL3216303 0.71 SIGMAR1 (0.41) KCNH2SLC2A1
SCHEMBL3632495 0.70 HRH2 (0.47) HRH2HRH1HRH3ALDH1A1
SCHEMBL3910347 0.69 HRH1 (0.48) HRH2HRH1KCNH2HRH3
SCHEMBL1692682 0.69 HRH2 (0.48) HRH2HRH1HRH3ALDH1A1
SCHEMBL14922331 0.69 HRH2 (0.54) HRH2HRH1HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 — — EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 — — WO disclosed