SCHEMBL28700103

SCHEMBL28700103

N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.59
DPP8 Q6V1X1 10/20 0.59
DPP9 Q86TI2 10/20 0.59
FAP Q12884 8/20 0.59
DPP7 Q9UHL4 8/20 0.54
ARG1 P05089 1/20 0.46
ARG2 P78540 1/20 0.46
ACE P12821 1/20 0.43
GRB2 P62993 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
SCHEMBL28700106 1.00 DPP4 (0.59) DPP4DPP8DPP9FAPDPP7
SCHEMBL22901988 0.87 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
Trifluoroacetic Acid SCHEMBL25384340 0.87 DPP4 (0.53) DPP4DPP8DPP9FAPDPP7
SCHEMBL4429903 0.86 DPP4 (0.56) DPP4
SCHEMBL31210164 0.86 DPP4 (0.56) DPP4
SCHEMBL4429906 0.86 DPP4 (0.56) DPP4
SCHEMBL31215088 0.86 DPP4 (0.56) DPP4
SCHEMBL4438809 0.86 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL3218706 0.86 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL4438807 0.86 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7

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
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 CN disclosed