SCHEMBL9299283

SCHEMBL9299283

CCOC(=O)CCc1ccn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c(=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
USP14 P54578 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL9300071 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9299692 0.84 MAPT (0.43) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9299222 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9300068 0.83 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9299769 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9299801 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9299131 0.82 ALOX5 (0.39) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9299133 0.82 ALOX5 (0.39) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9299657 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL8090538 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DGABRA1

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