SCHEMBL8220629

SCHEMBL8220629

CC1=C(C(=O)OCCN(C)C)C(c2ccc(N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 14/20 0.66
▸ CYP2C9 P11712 8/20 0.66
▸ ADRB1 P08588 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 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
SCHEMBL8220267 0.91 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8050837 0.89 ELANE (0.79) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL2896569 0.89 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL13540744 0.89 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8055913 0.86 ELANE (0.65) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8345574 0.85 ELANE (0.81) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL13412226 0.83 ELANE (0.79) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8217510 0.83 ELANE (0.79) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8056317 0.83 ELANE (0.65) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL13359534 0.81 ELANE (0.56) 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
WO-2008030158-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2008-03-13 — — WO disclosed
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