SCHEMBL7559776

SCHEMBL7559776

CCCC1([N+](=O)[O-])C=CC=C(C(N)=O)C1C(N)=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.30

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
SCHEMBL14685926 0.65
SCHEMBL3387366 0.65
SCHEMBL7340236 0.65
SCHEMBL6226124 0.61
SCHEMBL8384100 0.59 CACNA1F (0.30)
SCHEMBL31533466 0.58
SCHEMBL2456050 0.58 ALDH1A1 (0.39)
SCHEMBL3387457 0.58
SCHEMBL1668046 0.58
SCHEMBL5536804 0.57

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-2002020437-A2 BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2002-03-14 WO disclosed