SCHEMBL7320260

SCHEMBL7320260

Cc1ncccc1NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.45
CMA1 P23946 15/20 0.45
ELANE P08246 3/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
CTRC Q99895 2/20 0.41

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
SCHEMBL7322063 0.91 MALT1 (0.45) MALT1CMA1ELANECTRC
SCHEMBL10791046 0.91 CMA1 (0.49) MALT1CMA1ELANECTRC
SCHEMBL7317544 0.90 MALT1 (0.43) MALT1CMA1ELANECTRC
SCHEMBL7314093 0.82 CMA1 (0.51) MALT1CMA1ELANEF2PRSS1
SCHEMBL7321341 0.82 CMA1 (0.56) MALT1CMA1ELANEF2PRSS1
SCHEMBL7314620 0.77 CMA1 (0.53) CMA1ELANECTRC
SCHEMBL7314317 0.76 ITGB3 (0.59) MALT1CMA1F2PRSS1
SCHEMBL7324440 0.76 MALT1 (0.59) MALT1CMA1ELANE
SCHEMBL7307515 0.74 CMA1 (0.54) MALT1CMA1F2PRSS1
SCHEMBL7314754 0.74 MALT1 (0.53) MALT1CMA1ELANE

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
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed