SCHEMBL6615091

SCHEMBL6615091

CC(C)(C)OC(=O)N1CC2CN(CCCNc3ccc(C#N)cc3)CC(C1)C2O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.41
EGLN2 Q96KS0 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DRD2 P14416 1/20 0.37
AR P10275 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
SCHEMBL6093964 0.95 GPR119 (0.43) GPR119EGLN2JAK2JAK1HRH2
SCHEMBL6621239 0.87 EPHX2 (0.43) GPR119EGLN2JAK2JAK1HRH2
SCHEMBL6094707 0.87 HRH2 (0.38) GPR119EGLN2HRH2HRH1DRD2
SCHEMBL6608888 0.87 CCR3 (0.36) HRH2HRH1DRD2AR
SCHEMBL2961116 0.86 KCNH2 (0.44) GPR119EGLN2JAK2JAK1
SCHEMBL6093467 0.86 HRH2 (0.37) GPR119EGLN2JAK2JAK1HRH2
SCHEMBL6321858 0.86 CCR3 (0.41) HRH2HRH1DRD2
SCHEMBL6094571 0.83 HRH1 (0.49) HRH2HRH1DRD2
SCHEMBL5965506 0.82 GPR119 (0.43) GPR119HRH2HRH1DRD2AR
SCHEMBL5966001 0.82 GPR119 (0.45) GPR119EGLN2AR

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-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP claimed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed