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SCHEMBL6673709

SCHEMBL6673709

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC(N)C1)n2C(CC(=O)c1cccc(F)c1)c1ccccc1C#N.Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC(N)C1)n2C(CC(=O)c1ccccc1)c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.44
▸ CHRM1 P11229 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ KCNH2 Q12809 1/20 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
SCHEMBL4669787 0.99 DPP4 (0.45) DPP4CHRM1ALDH1A1ALOX15TSHR
SCHEMBL4668781 0.94 DPP4 (0.48) DPP4CHRM1ALDH1A1ALOX15TSHR
SCHEMBL4669775 0.90 DPP4 (0.46) DPP4CHRM1ALDH1A1ALOX15TSHR
SCHEMBL4667102 0.86 DPP4 (0.45) DPP4CHRM1ALDH1A1ALOX15TSHR
SCHEMBL4667079 0.86 DPP4 (0.45) DPP4CHRM1ALDH1A1ALOX15TSHR
SCHEMBL4668916 0.82 DPP4 (0.44) DPP4CHRM1ALDH1A1ALOX15TSHR
SCHEMBL7248511 0.82 POLB (0.37) ALDH1A1CYP3A4
SCHEMBL4668927 0.80 DPP4 (0.53) DPP4ALDH1A1ALOX15TSHRCYP3A4
SCHEMBL4667772 0.80 DPP4 (0.53) DPP4ALDH1A1ALOX15TSHRCYP3A4
SCHEMBL4668615 0.78 MEN1 (0.51) DPP4ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 — — WO disclosed