Sugi Predict

Sugi Predict / Compounds / SCHEMBL3841908

SCHEMBL3841908

SCHEMBL3841908

N#Cc1cccnc1N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 1.00
▸ DPP8 Q6V1X1 11/20 1.00
▸ DPP7 Q9UHL4 11/20 1.00
▸ FAP Q12884 1/20 0.71
▸ DPP9 Q86TI2 1/20 0.71
▸ HDAC2 Q92769 2/20 0.58
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL3842883 0.94 DPP4 (0.88) DPP4DPP8DPP7FAPDPP9
SCHEMBL3841932 0.87 DPP4 (0.77) DPP4DPP8DPP7FAPDPP9
SCHEMBL3845470 0.87 DPP4 (0.77) DPP4DPP8DPP7FAPDPP9
SCHEMBL3840937 0.86 DPP4 (0.75) DPP4DPP8DPP7FAPDPP9
SCHEMBL16500323 0.86 DPP4 (0.75) DPP4DPP8DPP7FAPDPP9
SCHEMBL3841938 0.85 DPP4 (0.74) DPP4DPP8DPP7FAPDPP9
SCHEMBL3840913 0.84 DPP4 (0.73) DPP4DPP8DPP7FAPDPP9
SCHEMBL3841473 0.84 DPP4 (0.73) DPP4DPP8DPP7FAPDPP9
Gosogliptin SCHEMBL23715004 0.83 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9
Gosogliptin SCHEMBL197108 0.83 DPP4 (1.00) DPP4DPP8DPP7FAPDPP9

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-2116541-B1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors PFIZER PROD INC (US) 2015-02-25 — — EP disclosed
EP-2116541-A1 Proline derivatives and their use as dipeptidyl peptidase IV inhibitors Pfizer Products Incorporated (US) 2009-11-11 — — EP disclosed