SCHEMBL7280248

SCHEMBL7280248

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@](CO)(c1nc2ccccc2o1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.46
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
DPP4 P27487 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27329037 1.00 ELANE (0.46) ELANEHCRTR1HCRTR2DPP4LMNA
SCHEMBL7286287 1.00 ELANE (0.46) ELANEHCRTR1HCRTR2DPP4LMNA
SCHEMBL7286226 0.88 ELANE (0.45) ELANE
SCHEMBL9746141 0.88 ELANE (0.44) ELANE
SCHEMBL27296405 0.88 ELANE (0.45) ELANE
SCHEMBL7279620 0.82 ELANE (0.51) ELANE
SCHEMBL7286683 0.81 ELANE (0.49) ELANE
SCHEMBL7278866 0.81 ELANE (0.44) ELANEDPP4
SCHEMBL7276814 0.78 ELANE (0.63) ELANE
SCHEMBL6860338 0.78 ELANE (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed