SCHEMBL5755443

SCHEMBL5755443

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(C)=C(C(C)=O)C1c1ccc(C#N)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.88
▸ CYP2C9 P11712 6/20 0.88
▸ CYP3A4 P08684 4/20 0.88

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
SCHEMBL5202512 0.94 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL2885094 0.91 ELANE (0.92) ELANECYP2C9CYP3A4
SCHEMBL2886592 0.89 ELANE (0.73) ELANECYP2C9CYP3A4
SCHEMBL2881464 0.89 ELANE (0.73) ELANECYP2C9CYP3A4
SCHEMBL2886045 0.89 ELANE (0.84) ELANECYP2C9CYP3A4
SCHEMBL8343245 0.88 ELANE (0.86) ELANECYP2C9CYP3A4
SCHEMBL8344191 0.88 ELANE (0.86) ELANECYP2C9CYP3A4
SCHEMBL5473659 0.88 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL5752067 0.88 ELANE (0.69) ELANECYP2C9CYP3A4
SCHEMBL2902763 0.88 ELANE (0.80) 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
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 — — US disclosed
EP-1458682-B1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-08-30 — — EP disclosed
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