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SCHEMBL6573579

SCHEMBL6573579

Cn1c2c(c(=O)n(CC(=O)c3ccccc3)c1=O)N(Cc1cc(C(F)(F)F)ccc1F)C(N1CCCC(N)C1)N2N1c2c(c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)N(Cc2c(F)cccc2C(F)(F)F)C1N1CCCC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ CHRM1 P11229 4/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ GNRHR P30968 6/20 0.35

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
SCHEMBL6573577 0.80 DPP4 (0.60) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4667081 0.74 DPP4 (0.68) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4668949 0.73 DPP4 (0.68) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL6687759 0.72 DPP4 (0.41) DPP4KCNH2CHRM1
SCHEMBL6689878 0.70 DPP4 (0.40) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL6676648 0.67 DPP4 (0.40) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL27600204 0.66 DPP4 (0.47) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL4669728 0.66 DPP4 (0.72) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL556182 0.64 DPP4 (0.65) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL11907413 0.60 DPP4 (0.43) DPP4KCNH2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 — — EP disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 — — WO disclosed