SCHEMBL9300464

SCHEMBL9300464

CC1(C)C=C(n2cc(CCCCO[N+](=O)[O-])ccc2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAOB P27338 1/20 0.31
MAPT P10636 1/20 0.31
ABCC9 O60706 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
SCHEMBL9299880 0.97 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299985 0.94 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9298519 0.89 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299844 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299231 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9298777 0.85 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9299263 0.85 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL9300717 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL9299620 0.83 PDE4A (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL9300452 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296492-A Certain chroman derivatives useful for treating symptoms caused by contraction of smooth muscles, circulatory diseases or epilepsy NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-03-22 US disclosed
EP-0518342-A1 Chroman derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-12-16 EP disclosed