Sugi Predict

Sugi Predict / Compounds / SCHEMBL6674520

SCHEMBL6674520

SCHEMBL6674520

Cn1c2c(c(=O)[nH]c1=O)N(Cc1cc(F)cc(F)c1)C(N1CCCC(N)C1)N2N1c2c(c(=O)n(C)c(=O)n2C)N(Cc2cccc(F)c2)C1N1CCCC(N)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 12/20 0.42
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ADORA2A P29274 1/20 0.32

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
SCHEMBL6676653 0.79 DPP4 (0.39) DPP4KCNH2
SCHEMBL6674513 0.71 DPP4 (0.66) DPP4ALDH1A1
SCHEMBL6674842 0.69 DPP4 (0.39) DPP4KCNH2
SCHEMBL27600222 0.68 TSHR (0.39) DPP4KCNH2ALDH1A1
SCHEMBL4668769 0.66 ALDH1A1 (0.59) DPP4ALDH1A1
SCHEMBL5335575 0.64 DPP4 (0.45) DPP4CYP1A2CYP2D6ALDH1A1
SCHEMBL6687759 0.64 DPP4 (0.41) DPP4KCNH2
SCHEMBL555121 0.64 DPP4 (0.79) DPP4ALDH1A1
SCHEMBL4668968 0.63 ALDH1A1 (0.56) DPP4ALDH1A1
SCHEMBL15533388 0.62 DPP4 (0.47) DPP4

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