SCHEMBL3145390

SCHEMBL3145390

COC(=O)Oc1ccc2nc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.48
MAP4K4 O95819 2/20 0.43
CYP2D6 P10635 2/20 0.42
HRH1 P35367 2/20 0.42
CHRM1 P11229 1/20 0.42
BTK Q06187 2/20 0.41
JAK3 P52333 1/20 0.41
F10 P00742 1/20 0.40
PADI4 Q9UM07 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3149955 0.94 DPP4 (0.47) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL3150575 0.93 DPP4 (0.49) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2097778 0.88 DPP4 (0.49) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2097781 0.88 DPP4 (0.49) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2098876 0.87 DPP4 (0.50) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2098878 0.87 DPP4 (0.50) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2099460 0.84 DPP4 (0.48) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2098108 0.84 DPP4 (0.48) DPP4MAP4K4CYP2D6HRH1CHRM1
SCHEMBL2098253 0.83 MAPT (0.47) DPP4MAP4K4BTKJAK3PADI4
SCHEMBL3140520 0.74 LMNA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863790-B1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI AVENTIS (FR) 2010-02-10 EP disclosed
EP-1863790-A1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS Sanofi-Aventis (FR) 2007-12-12 EP disclosed
WO-2006099943-A1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS (DE) 2006-09-28 WO disclosed