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SCHEMBL6689878

SCHEMBL6689878

Cc1ccc(C(=O)Cn2c(=O)c3c(n(C)c2=O)N(N2c4c(c(=O)n(CC(=O)c5ccccc5Cl)c(=O)n4C)N(Cc4ccccc4Br)C2N2CCCC(N)C2)C(N2CCCC(N)C2)N3Cc2ccccc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ CHRM1 P11229 4/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL6687759 0.83 DPP4 (0.41) DPP4KCNH2CHRM1
SCHEMBL6689876 0.80 DPP4 (0.61) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL6676648 0.78 DPP4 (0.40) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4668805 0.73 DPP4 (0.65) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4667792 0.72 DPP4 (0.68) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL6573579 0.70 DPP4 (0.39) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4668920 0.69 DPP4 (0.67) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4667112 0.67 DPP4 (0.75) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4669749 0.67 DPP4 (0.75) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL27600204 0.67 DPP4 (0.47) DPP4KCNH2CHRM1CHRM2CHRM3

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