SCHEMBL25129752

SCHEMBL25129752

Cc1cc(C[C@@H](N)CC(=O)N2CCOCC2)c(F)cc1P

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
CYP3A4 P08684 6/20 0.49
DPP7 Q9UHL4 1/20 0.49
DPP9 Q86TI2 2/20 0.48

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
SCHEMBL29142108 0.85 DPP4 (0.68) DPP4CYP3A4DPP7DPP9
SCHEMBL21985108 0.85 DPP4 (0.68) DPP4CYP3A4DPP7DPP9
SCHEMBL21985104 0.85 DPP4 (0.68) DPP4CYP3A4DPP7DPP9
SCHEMBL25129574 0.76 DPP4 (0.80) DPP4DPP7DPP9
SCHEMBL4411399 0.74 DPP4 (0.55) DPP4CYP3A4DPP7DPP9
SCHEMBL4550662 0.74 DPP4 (0.55) DPP4CYP3A4DPP7DPP9
SCHEMBL24244598 0.73 DPP4 (0.79) DPP4CYP3A4DPP7DPP9
SCHEMBL28434489 0.73 DPP4 (0.79) DPP4CYP3A4DPP7DPP9
SCHEMBL21985113 0.72 DPP4 (0.84) DPP4CYP3A4DPP7DPP9
SCHEMBL21985114 0.72 DPP4 (0.84) DPP4CYP3A4DPP7DPP9

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