SCHEMBL8342443

SCHEMBL8342443

CC1=C(C#N)C(c2ccc(C#N)cc2C)C(C(N)=O)C(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.58
▸ CYP2C9 P11712 3/20 0.56
▸ CYP3A4 P08684 4/20 0.54

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
SCHEMBL5202163 0.89 ELANE (0.66) ELANECYP2C9CYP3A4
SCHEMBL8342436 0.83 ELANE (0.55) ELANECYP2C9CYP3A4
SCHEMBL8344430 0.81 ELANE (0.68) ELANECYP2C9CYP3A4
SCHEMBL8344545 0.81 ELANE (0.78) ELANECYP2C9CYP3A4
SCHEMBL5205336 0.80 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL8346335 0.80 ELANE (0.51) ELANECYP2C9CYP3A4
SCHEMBL14524154 0.79 ELANE (0.64) ELANECYP2C9CYP3A4
SCHEMBL14431993 0.79 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL14523472 0.78 ELANE (0.64) ELANECYP2C9CYP3A4
SCHEMBL5205126 0.78 ELANE (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 — — EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 — — US disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 — — WO disclosed
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