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SCHEMBL13359600

SCHEMBL13359600

CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccc(N)cc2)N(CCCCCCCCCCCCN2C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C(C(=O)OCC[N+](C)(C)C)[C@H]2c2ccc(N)cc2)C(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.51
▸ CYP2C9 P11712 4/20 0.44
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL13359534 0.95 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL13359531 0.88 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL13359530 0.87 ELANE (0.51) ELANECYP2C9
SCHEMBL13359489 0.87 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL13359525 0.85 ELANE (0.68) ELANECYP2C9CYP3A4
SCHEMBL13359518 0.85 ELANE (0.68) ELANECYP2C9CYP3A4
SCHEMBL13359539 0.83 ELANE (0.60) ELANECYP2C9CYP3A4
SCHEMBL8260950 0.83 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL13359574 0.82 ELANE (0.51) ELANECYP2C9CYP3A4
SCHEMBL8261276 0.82 ELANE (0.55) ELANECYP2C9CYP3A4

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-1856059-B1 MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LTD (GB) 2010-05-19 — — EP disclosed
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