SCHEMBL27857100

SCHEMBL27857100

O=CN[C@@H]1CCCN1C(=O)CCl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ DPP4 P27487 13/20 0.35
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FAP Q12884 4/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ PREP P48147 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33

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
SCHEMBL27879615 0.83 PREP (0.35) DPP4POLBL3MBTL1FAPDPP7
SCHEMBL28826381 0.83 DPP4 (0.40) DPP4POLBL3MBTL1FAPPREP
SCHEMBL29091403 0.83 DPP4 (0.34) DPP4POLBL3MBTL1FAPDPP7
SCHEMBL27896393 0.80 GAA (0.43) ALDH1A1LMNAPOLB
SCHEMBL19104795 0.80 SMN1; SMN2 (0.44) DPP4POLBL3MBTL1FAPDPP7
SCHEMBL28801602 0.80 PREP (0.42) DPP4FAPDPP7PREP
SCHEMBL27879636 0.77 CHRM2 (0.37) DPP4FAPPREPDPP8DPP9
SCHEMBL7408815 0.77 POLB (0.36) DPP4POLBL3MBTL1
SCHEMBL29091404 0.77 DPP4 (0.33) DPP4POLBL3MBTL1FAPDPP7
SCHEMBL27896408 0.75 MC4R (0.48) ALDH1A1DPP4POLBL3MBTL1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230503-A Method for synthesizing vildagliptin by one-pot method 山东安舜制药有限公司 2022-03-25 — — CN claimed
CN-102491928-A Method for preparing (2S)-N-chloracetyl-2-cyano-group pyrrolidine LINHAI TIANYU PHARMACEUTICAL CO LTD 2012-06-13 — — CN claimed
CN-114230503-A Method for synthesizing vildagliptin by one-pot method 山东安舜制药有限公司 2022-03-25 — — CN disclosed
CN-110642769-B Preparation method of vildagliptin 烟台万润药业有限公司 2022-03-25 — — CN disclosed
CN-110563627-B Preparation method of (S) -1- (2-chloroacetyl) pyrrolidine-2-carbonitrile 沧州那瑞化学科技有限公司 2021-03-23 — — CN disclosed
CN-107098842-B Purification method of vildagliptin 南京优科制药有限公司 2020-05-08 — — CN disclosed
CN-110642769-A Preparation method of vildagliptin 烟台万润药业有限公司 2020-01-03 — — CN disclosed
CN-110563627-A Preparation method of (S) -1- (2-chloroacetyl) pyrrolidine-2-carbonitrile 沧州那瑞化学科技有限公司 2019-12-13 — — CN disclosed
CN-103848770-A Method for preparing midbody (2S)-N-chloracetyl-2-cyano tetrahydropyrrole of vildagliptin CHENGDU NUOWEIER BIOLOG PHARMACEUTICAL CO LTD 2014-06-11 — — CN disclosed
CN-103351320-A Preparation method of (S)-1-(2-chloroacetyl)-pyrrolidine-2-formamide ZHANGJIAGANG WEISHENG BIOLOG PHARCEUTICAL CO LTD 2013-10-16 — — CN disclosed
CN-103351320-A Preparation method of (S)-1-(2-chloroacetyl)-pyrrolidine-2-formamide ZHANGJIAGANG WEISHENG BIOLOG PHARCEUTICAL CO LTD 2013-10-16 — — CN disclosed
CN-102491928-A Method for preparing (2S)-N-chloracetyl-2-cyano-group pyrrolidine LINHAI TIANYU PHARMACEUTICAL CO LTD 2012-06-13 — — CN disclosed
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