SCHEMBL7816094

SCHEMBL7816094

CN1C[CH]CCC1CO[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL7817116 0.77 CHRNB4 (0.30) CHRNB4CHRNA3
SCHEMBL7819344 0.71 CHRNB4 (0.34) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7817737 0.70 MMP2 (0.35)
SCHEMBL2040662 0.68
SCHEMBL7810422 0.68 ALDH1A1 (0.32)
SCHEMBL7821671 0.65 MMP2 (0.33)
SCHEMBL7816873 0.63
SCHEMBL23829716 0.62
SCHEMBL9875012 0.62 ALDH1A1 (0.40)
SCHEMBL6438537 0.62 ALDH1A1 (0.40)

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-0798298-B1 THIAZOLIDINONE OR OXAZOLIDINONE DERIVATIVES TO TREAT ANGINA PECTORIS OR COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO CO (JP) 2001-08-08 EP disclosed
US-5843973-A Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0798298-A1 THIAZOLIDINONE COMPOUNDS OR ANGINA PECTORIS REMEDY OR PREVENTIVE CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO COMPANY LIMITED (JP) 1997-10-01 EP disclosed