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Sugi Predict / Compounds / SCHEMBL21703655

SCHEMBL21703655

SCHEMBL21703655

CC#CCn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(CC(=O)CNc1ccccc1C(C)=O)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.76
▸ CHRM1 P11229 3/20 0.53

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
SCHEMBL21703576 0.92 DPP4 (0.77) DPP4CHRM1
SCHEMBL637461 0.88 DPP4 (0.83) DPP4CHRM1
SCHEMBL638287 0.88 DPP4 (0.83) DPP4CHRM1
SCHEMBL3971048 0.88 DPP4 (0.83) DPP4CHRM1
SCHEMBL639189 0.87 DPP4 (0.86) DPP4CHRM1
SCHEMBL637657 0.87 DPP4 (0.86) DPP4CHRM1
SCHEMBL637988 0.87 DPP4 (0.86) DPP4CHRM1
SCHEMBL636888 0.86 DPP4 (0.85) DPP4CHRM1
SCHEMBL638453 0.86 DPP4 (0.85) DPP4CHRM1
SCHEMBL639216 0.86 DPP4 (0.85) DPP4CHRM1

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-2020031040-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BOC-LINAGLIPTIN RICHTER GEDEON NYRT. (HU) 2020-02-13 — — WO disclosed