Sugi Predict

Sugi Predict / Compounds / SCHEMBL8261240

SCHEMBL8261240

SCHEMBL8261240

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CCCN2CCN(CCN3CCN(CCCN4C(=O)N(c5cccc(C(F)(F)F)c5)C(C)=C(C(=O)OCC)C4c4ccc(N)cc4)CC3)CC2)C1c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.61
▸ CYP2C9 P11712 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51

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
SCHEMBL13359544 0.94 ELANE (0.60) ELANECYP2C9
SCHEMBL8262348 0.90 ELANE (0.75) ELANECYP2C9
SCHEMBL13359526 0.90 ELANE (0.63) ELANECYP2C9CYP3A4
SCHEMBL13872618 0.90 ELANE (0.75) ELANECYP2C9
SCHEMBL8261307 0.90 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL13359468 0.89 ELANE (0.76) ELANECYP2C9
SCHEMBL13872630 0.88 ELANE (0.74) ELANECYP2C9
SCHEMBL8261243 0.88 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL8260950 0.88 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL13872702 0.87 ELANE (0.73) ELANECYP2C9

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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