SCHEMBL25840236

SCHEMBL25840236

N[C@@H](CC(=O)N1CCCCC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.77
DPP7 Q9UHL4 2/20 0.69
DPP8 Q6V1X1 2/20 0.69
CYP3A4 P08684 4/20 0.68
DPP9 Q86TI2 2/20 0.65

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
SCHEMBL24244598 0.99 DPP4 (0.79) DPP4DPP7DPP8CYP3A4DPP9
SCHEMBL28434489 0.99 DPP4 (0.79) DPP4DPP7DPP8CYP3A4DPP9
SCHEMBL4699518 0.88 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL4699986 0.88 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL21985104 0.86 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL21985109 0.86 DPP4 (0.88) DPP4DPP7DPP8CYP3A4DPP9
SCHEMBL21985113 0.86 DPP4 (0.84) DPP4DPP7CYP3A4DPP9
SCHEMBL21985108 0.86 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL21985114 0.86 DPP4 (0.84) DPP4DPP7CYP3A4DPP9
SCHEMBL21985110 0.86 DPP4 (0.88) DPP4DPP7DPP8CYP3A4DPP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4050102-B1 TRANSAMINASE MUTANT AND USE THEREOF IN PREPARATION OF SITAGLIPTIN INTERMEDIATE ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2026-03-11 EP claimed
EP-4050102-B1 TRANSAMINASE MUTANT AND USE THEREOF IN PREPARATION OF SITAGLIPTIN INTERMEDIATE ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2026-03-11 EP disclosed
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
EP-4050102-A1 TRANSAMINASE MUTANT AND USE THEREOF IN PREPARATION OF SITAGLIPTIN INTERMEDIATE Zhejiang Yongtai Technology Co., Ltd. (CN) 2022-08-31 EP disclosed
CN-108866021-A A kind of transaminase mutant and preparing the application in sitagliptin intermediate 浙江工业大学 2018-11-23 CN disclosed