SCHEMBL7475707

SCHEMBL7475707

CC(C)(C)OC(=O)N1CCC(Oc2ccc3ncn(C(=O)OC(C)(C)C)c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.52
CHEK2 O96017 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
HCAR1 Q9BXC0 1/20 0.45
ALK Q9UM73 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL7486430 0.82 CHEK2 (0.53) GPR119CHEK2HRH3ALDH1A1PDE4A
SCHEMBL14047862 0.81 NEK2 (0.49) GPR119CHEK2HRH3
SCHEMBL7481944 0.79 CHEK2 (0.52) GPR119CHEK2HRH3ALDH1A1PDE4A
SCHEMBL13462815 0.78 GPR119 (0.53) GPR119CHEK2HRH3PDE4APDE4B
SCHEMBL7481010 0.78 CHEK2 (0.51) GPR119CHEK2HRH3ALDH1A1
SCHEMBL7482431 0.78 GPR119 (0.52) GPR119CHEK2HRH3
SCHEMBL7484425 0.78 CHEK2 (0.51) GPR119CHEK2HRH3PDE4APDE4B
SCHEMBL5564929 0.77 PIK3CD (0.51) GPR119CHEK2HRH3PDE4APDE4B
SCHEMBL17729239 0.77 GPR119 (0.51) GPR119CHEK2HRH3PDE4APDE4B
SCHEMBL1134253 0.77 GPR119 (0.55) GPR119CHEK2HRH3ALKALDH1A1

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-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed