SCHEMBL3847095

SCHEMBL3847095

Cc1ccc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.78
DPP8 Q6V1X1 11/20 0.78
DPP7 Q9UHL4 10/20 0.78
DPP9 Q86TI2 2/20 0.68
FAP Q12884 1/20 0.68

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
SCHEMBL3841337 0.88 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL3844868 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9FAP
SCHEMBL3849234 0.86 DPP4 (0.79) DPP4DPP8DPP7DPP9FAP
SCHEMBL3841035 0.85 DPP4 (0.73) DPP4DPP8DPP7DPP9FAP
SCHEMBL3842842 0.85 DPP4 (0.93) DPP4DPP8DPP7DPP9FAP
SCHEMBL3846398 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL3842814 0.82 DPP4 (0.72) DPP4DPP8DPP7DPP9FAP
SCHEMBL3844698 0.82 DPP4 (0.67) DPP4DPP8DPP7DPP9FAP
SCHEMBL3861833 0.82 DPP4 (0.69) DPP4DPP8DPP7DPP9FAP
SCHEMBL3842662 0.81 DPP4 (0.78) DPP4DPP8DPP7DPP9FAP

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