SCHEMBL3154696

SCHEMBL3154696

N[C@@H]1CCCN(c2nc3ccc(OC(=O)NCc4ccc(Cl)cc4)cc3n2Cc2ccc(F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.42
CYP3A4 P08684 3/20 0.41
SOS1 Q07889 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPC6 Q9Y210 2/20 0.40
CHRM1 P11229 2/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
FAP Q12884 2/20 0.40
TP53 P04637 1/20 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
Hydrochloric Acid SCHEMBL2098557 0.86 MAPT (0.51) DPP4FAPTP53
Hydrochloric Acid SCHEMBL2098558 0.86 MAPT (0.51) DPP4FAPTP53
SCHEMBL2101388 0.75 MAPT (0.49) CHRM1CYP2D6HRH1TP53
SCHEMBL22465037 0.75 HRH1 (0.64) DPP4CYP3A4KCNH2CHRM1CYP2D6
SCHEMBL22465422 0.75 HRH1 (0.64) DPP4CYP3A4KCNH2CHRM1CYP2D6
SCHEMBL22465035 0.75 HRH1 (0.64) DPP4CYP3A4KCNH2CHRM1CYP2D6
SCHEMBL2098253 0.74 MAPT (0.47) DPP4TP53
SCHEMBL3150575 0.74 DPP4 (0.49) DPP4KCNH2CHRM1CYP2D6HRH1
SCHEMBL20920005 0.74 DPP4 (0.60) DPP4CYP3A4SOS1KCNH2TRPC6
SCHEMBL20920007 0.74 DPP4 (0.60) DPP4CYP3A4SOS1KCNH2TRPC6

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