SCHEMBL21895915

SCHEMBL21895915

O=C(O)C1CC(N2CCC(F)(F)CC2)CN1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.46
DPP8 Q6V1X1 10/20 0.46
DPP7 Q9UHL4 10/20 0.46
FAP Q12884 1/20 0.46
DPP9 Q86TI2 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42

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
SCHEMBL21837655 1.00 DPP4 (0.46) DPP4DPP8DPP7FAPDPP9
SCHEMBL21837469 1.00 DPP4 (0.46) DPP4DPP8DPP7FAPDPP9
SCHEMBL21895955 1.00 DPP4 (0.46) DPP4DPP8DPP7FAPDPP9
SCHEMBL21895797 0.88 DPP4 (0.42) DPP4DPP8DPP7FAPDPP9
SCHEMBL21895778 0.88 DPP4 (0.42) DPP4DPP8DPP7FAPDPP9
SCHEMBL21950808 0.82 DPP4 (0.43) DPP4DPP8DPP7FAPDPP9
SCHEMBL25363914 0.81 DPP4 (0.60) DPP4DPP8DPP7CYP1A2CYP2D6
SCHEMBL13964108 0.81 DPP4 (0.60) DPP4DPP8DPP7CYP1A2CYP2D6
SCHEMBL10905245 0.80 DPP4 (0.61) DPP4DPP8DPP7CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL19746027 0.78 DPP4 (0.60) DPP4DPP8DPP7CYP1A2CYP2D6

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
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed