SCHEMBL6860338

SCHEMBL6860338

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(O)c1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.51
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
DPP3 Q9NY33 1/20 0.39
DPP4 P27487 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13299859 0.82 DPP4 (0.42) ELANEDPP3DPP4
SCHEMBL3137758 0.82 DPP4 (0.42) ELANEDPP3DPP4
Hydrochloric Acid SCHEMBL3257602 0.81 DPP4 (0.42) ELANEDPP3DPP4
Hydrochloric Acid SCHEMBL3257603 0.81 DPP4 (0.42) ELANEDPP3DPP4
Hydrochloric Acid SCHEMBL3257601 0.81 DPP4 (0.42) ELANEDPP3DPP4
Trifluoroacetic Acid SCHEMBL3255537 0.78 ELANE (0.44) ELANEDPP3DPP4
Trifluoroacetic Acid SCHEMBL3255535 0.78 ELANE (0.44) ELANEDPP3DPP4
SCHEMBL7286287 0.78 ELANE (0.46) ELANEHCRTR1HCRTR2DPP4
SCHEMBL7280248 0.78 ELANE (0.46) ELANEHCRTR1HCRTR2DPP4
SCHEMBL27329037 0.78 ELANE (0.46) ELANEHCRTR1HCRTR2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835714-B1 Heterocyclic compounds, intermediates thereof and elastase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
EP-1157998-A1 HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-11-28 EP disclosed