SCHEMBL27886267

SCHEMBL27886267

COc1ccc(N2CCN(CCNCC(=O)N3CCC[C@H]3C#N)C2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 1.00
▸ DPP8 Q6V1X1 3/20 1.00

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
Oxalic Acid SCHEMBL27960064 0.98 DPP4 (1.00) DPP4DPP8
Oxalic Acid SCHEMBL27903121 0.98 DPP4 (1.00) DPP4DPP8
SCHEMBL27886262 0.89 DPP4 (0.97) DPP4DPP8
Oxalic Acid SCHEMBL27960029 0.87 DPP4 (1.00) DPP4DPP8
Oxalic Acid SCHEMBL27886254 0.87 DPP4 (1.00) DPP4DPP8
SCHEMBL27754602 0.84 DPP4 (0.96) DPP4DPP8
SCHEMBL28775267 0.84 DPP4 (0.98) DPP4DPP8
Oxalic Acid SCHEMBL27754783 0.83 DPP4 (1.00) DPP4DPP8
Oxalic Acid SCHEMBL28775288 0.83 DPP4 (1.00) DPP4DPP8
SCHEMBL27754926 0.83 DPP4 (0.97) DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850330-B Method for preparing N-substituted pyrrolidine derivative through bromination DIAO PHARMACEUTICAL GROUP CO., LTD., CHENGDU (CN) 2014-10-15 — — CN disclosed
CN-102432599-B Crystal form of oxalate of dipeptidyl peptidase inhibitor and preparation method and application thereof CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2014-07-30 — — CN disclosed
CN-103848817-A Iodination preparation method for dipeptidyl peptidase inhibitor, chlorination and iodination intermediates of dipeptidyl peptidase inhibitor and preparation methods for intermediates CHENGDU DIAO PHARMACY GROUP CO LTD 2014-06-11 — — CN disclosed
CN-103848816-A Reductive amination preparation method for dipeptidyl peptidase inhibitor, and intermediate and preparation method thereof CHENGDU DIAO PHARMACY GROUP CO LTD 2014-06-11 — — CN disclosed
CN-102838589-B Method for preparing N substituted pyrrolidine derivative through acylation of methyl sulfone chloride CHENGDU DIAO PHARMACY GROUP CO LTD 2014-03-26 — — CN disclosed
CN-102850330-A Method for preparing N-substituted pyrrolidine derivative through bromination CHENGDU DIAO PHARMACY GROUP CO LTD 2013-01-02 — — CN disclosed
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