Sugi Predict

Sugi Predict / Compounds / SCHEMBL6573577

SCHEMBL6573577

SCHEMBL6573577

Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1c(F)cccc1C(F)(F)F.Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.60
▸ CHRM1 P11229 4/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ CHRM3 P20309 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60

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
SCHEMBL4667081 0.94 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668949 0.93 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4669728 0.86 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556182 0.81 DPP4 (0.65) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL6573579 0.80 DPP4 (0.39) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL14569261 0.79 DPP4 (0.76) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668817 0.79 DPP4 (0.78) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4667112 0.79 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4669749 0.79 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668815 0.79 DPP4 (0.78) DPP4CHRM1CHRM2CHRM3KCNH2

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