SCHEMBL6828636

SCHEMBL6828636

COc1ccc(CSC(C)(C)C(NC(=O)O)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.75
DPP7 Q9UHL4 12/20 0.75
FAP Q12884 12/20 0.62
DPP8 Q6V1X1 7/20 0.62
DPP9 Q86TI2 7/20 0.62

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
SCHEMBL3150545 1.00 DPP4 (0.75) DPP4DPP7FAPDPP8DPP9
SCHEMBL3155789 0.91 DPP4 (0.63) DPP4DPP7FAPDPP8DPP9
SCHEMBL3160876 0.90 DPP4 (0.62) DPP4DPP7FAPDPP8DPP9
SCHEMBL3165183 0.90 DPP4 (0.62) DPP4DPP7FAPDPP8DPP9
SCHEMBL3155999 0.90 DPP4 (0.67) DPP4DPP7FAPDPP8DPP9
SCHEMBL3165763 0.90 DPP4 (0.64) DPP4DPP7FAPDPP8DPP9
SCHEMBL3165068 0.90 DPP4 (0.74) DPP4DPP7FAPDPP8DPP9
SCHEMBL3160933 0.89 DPP4 (0.64) DPP4DPP7FAPDPP8DPP9
SCHEMBL3160605 0.89 DPP4 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL3166137 0.89 DPP4 (0.74) DPP4DPP7FAPDPP8DPP9

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
WO-2004092128-A1 ANHYDROUS CRYSTALLINE FORMS OF (2S, 4S)-1-{(2R)-2-AMINO-3-‘4-METHOXYBENZYL)SULFONYL!-3-METHYLBUTANOYL}-4-FLUOROPYRROLINDINE-2-CARBONITRILE SMITHKLINE BEECHAM CORPORATION (US) 2004-10-28 WO disclosed