SCHEMBL7477361

SCHEMBL7477361

CCCc1nc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
GPR119 Q8TDV5 6/20 0.48
F2 P00734 6/20 0.46
F10 P00742 6/20 0.46
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PRSS1 P07477 2/20 0.42

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
SCHEMBL7486939 0.94 CHEK2 (0.48) CHEK2GPR119F2F10PDE4D
SCHEMBL7484425 0.92 CHEK2 (0.51) CHEK2GPR119F2F10PDE4D
SCHEMBL7482886 0.88 CHEK2 (0.49) CHEK2GPR119F2F10PDE4D
SCHEMBL7486430 0.85 CHEK2 (0.53) CHEK2GPR119PDE4DPDE4APDE4B
SCHEMBL7481944 0.84 CHEK2 (0.52) CHEK2GPR119F2F10PDE4D
SCHEMBL7481010 0.83 CHEK2 (0.51) CHEK2GPR119F2F10HRH3
SCHEMBL7482431 0.83 GPR119 (0.52) CHEK2GPR119HRH3
SCHEMBL7483410 0.79 GPR119 (0.45) CHEK2GPR119F2F10PDE4D
SCHEMBL7473742 0.77 CNR2 (0.41)
SCHEMBL7475707 0.76 GPR119 (0.52) CHEK2GPR119PDE4DPDE4APDE4B

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