SCHEMBL4678933

SCHEMBL4678933

Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(-c4nc(C(=O)OC(C)C)cs4)cc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.82

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
Hydrochloric Acid SCHEMBL3893372 0.99 DPP4 (0.82) DPP4
SCHEMBL3892785 0.92 DPP4 (0.82) DPP4
Hydrochloric Acid SCHEMBL3899641 0.90 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL3904422 0.89 DPP4 (0.88) DPP4
Hydrochloric Acid SCHEMBL3892733 0.89 DPP4 (0.88) DPP4
SCHEMBL3904311 0.85 DPP4 (0.60) DPP4
Hydrochloric Acid SCHEMBL3896064 0.80 DPP4 (0.66) DPP4
SCHEMBL3893436 0.80 DPP4 (0.72) DPP4
SCHEMBL3896591 0.79 DPP4 (0.71) DPP4
Hydrochloric Acid SCHEMBL3893765 0.79 DPP4 (0.64) DPP4

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
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed