SCHEMBL8346504

SCHEMBL8346504

CC1=C(C(=O)NCC(C)C)C(c2ccc(C#N)cc2)CC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.74
▸ CYP3A4 P08684 5/20 0.74
▸ CYP2C9 P11712 7/20 0.56
▸ PRTN3 P24158 1/20 0.48

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
SCHEMBL8346762 0.91 ELANE (0.77) ELANECYP3A4CYP2C9
SCHEMBL14431506 0.88 ELANE (0.81) ELANECYP3A4CYP2C9
SCHEMBL8346479 0.88 ELANE (0.73) ELANECYP3A4CYP2C9
SCHEMBL14431492 0.87 ELANE (0.72) ELANECYP3A4CYP2C9PRTN3
SCHEMBL8344358 0.86 ELANE (0.70) ELANECYP3A4CYP2C9PRTN3
SCHEMBL5205404 0.86 ELANE (0.77) ELANECYP3A4CYP2C9
SCHEMBL5204971 0.85 ELANE (0.86) ELANECYP3A4CYP2C9
SCHEMBL5243071 0.85 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL14498422 0.85 ELANE (0.69) ELANECYP3A4CYP2C9
SCHEMBL8344446 0.84 ELANE (0.68) ELANECYP3A4CYP2C9PRTN3

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 4 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
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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