SCHEMBL3149955

SCHEMBL3149955

COC(=O)Oc1ccc2c(c1)nc(N1CCCC(NC(=O)OC(C)(C)C)C1)n2Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.47
MAP4K4 O95819 2/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
HRH1 P35367 1/20 0.42
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
GNRHR P30968 1/20 0.40
F10 P00742 1/20 0.40
PADI4 Q9UM07 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL3145390 0.94 DPP4 (0.48) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2098108 0.88 DPP4 (0.48) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2099460 0.88 DPP4 (0.48) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL3150575 0.87 DPP4 (0.49) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2097781 0.84 DPP4 (0.49) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2097778 0.84 DPP4 (0.49) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2098878 0.83 DPP4 (0.50) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2098876 0.83 DPP4 (0.50) DPP4MAP4K4CYP2D6CHRM1HRH1
SCHEMBL2098253 0.79 MAPT (0.47) DPP4MAP4K4JAK3BTKPADI4
SCHEMBL28478050 0.77 DPP4 (0.53) DPP4MAP4K4JAK3BTKKDM4D

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