Sugi Predict

Sugi Predict / Compounds / SCHEMBL30065230

SCHEMBL30065230

SCHEMBL30065230

N[C@H]1CN(c2ncnc(N3CCC(F)(F)C3)n2)C[C@@H]1N1CC(F)(F)CCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 1.00
▸ DPP8 Q6V1X1 3/20 0.49
▸ DPP9 Q86TI2 1/20 0.39
▸ MAP3K12 Q12852 4/20 0.36
▸ ROCK2 O75116 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL17549436 1.00 DPP4 (1.00) DPP4DPP8DPP9MAP3K12ROCK2
SCHEMBL163161 1.00 DPP4 (1.00) DPP4DPP8DPP9MAP3K12ROCK2
SCHEMBL196669 1.00 DPP4 (1.00) DPP4DPP8DPP9MAP3K12ROCK2
SCHEMBL14648433 0.92 DPP4 (0.85) DPP4DPP8DPP9MAP3K12
SCHEMBL3928376 0.85 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3928382 0.85 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3923070 0.79 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3923073 0.79 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3920628 0.78 DPP4 (0.79) DPP4DPP8DPP9MAP3K12
SCHEMBL3920632 0.78 DPP4 (0.79) DPP4DPP8DPP9MAP3K12

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
CN-117547538-A Antidiabetic agents comprising DPP-4 inhibitors (linagliptin) optionally in combination with other antidiabetic agents 勃林格殷格翰国际有限公司 2024-02-13 — — CN disclosed
CN-107961377-B Combination therapy 勃林格殷格翰国际有限公司 2022-11-22 — — CN disclosed
Send feedback