SCHEMBL25129574

SCHEMBL25129574

CCc1nnc2n1CCN(C(=O)C[C@H](N)Cc1cc(C)c(P)cc1F)C2

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.80
DPP8 Q6V1X1 14/20 0.80
DPP7 Q9UHL4 3/20 0.65
DPP9 Q86TI2 3/20 0.61
ACE P12821 1/20 0.58
HTR2A P28223 1/20 0.58
FAP Q12884 1/20 0.58

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
SCHEMBL2667452 0.84 DPP4 (0.84) DPP4DPP8DPP7DPP9ACE
SCHEMBL2667530 0.82 DPP4 (0.77) DPP4DPP8DPP7DPP9ACE
SCHEMBL16230987 0.80 DPP4 (0.83) DPP4DPP8DPP7DPP9ACE
SCHEMBL16231055 0.80 DPP4 (0.83) DPP4DPP8DPP7DPP9ACE
SCHEMBL6877160 0.80 DPP4 (0.83) DPP4DPP8DPP7DPP9ACE
SCHEMBL1071184 0.80 DPP4 (0.98) DPP4DPP8DPP7DPP9ACE
SCHEMBL7902672 0.79 DPP4 (0.78) DPP4DPP8DPP7DPP9ACE
SCHEMBL6853393 0.79 DPP4 (0.78) DPP4DPP8DPP7DPP9ACE
SCHEMBL14267898 0.79 DPP4 (0.78) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL6915483 0.79 DPP4 (1.00) DPP4DPP8DPP7DPP9

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
US-20230103175-A1 TRANSAMINASE MUTANT, IMMOBILIZED TRANSAMINASE AND USE IN PREPARATION OF SITAGLIPTIN ABIOCHEM BIOTECHNOLOGY CO, LTD. (CN) 2023-03-30 US disclosed