SCHEMBL7832934

SCHEMBL7832934

COCn1cc(C)c(=O)n(CCCCl)c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADORA2B P29275 4/20 0.35
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 3/20 0.33
BRD4 O60885 2/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL7835528 0.80 DGAT1 (0.37) TRPC5ADORA2BPDE4APDE4BPDE4C
SCHEMBL7834052 0.79 PDE4A (0.40) TRPC5ADORA2BPDE4APDE4BPDE4C
SCHEMBL7836731 0.79 MAPT (0.46) TRPC5ALDH1A1MEN1KMT2A
SCHEMBL7832968 0.77 HPGD (0.47) TRPC5ADORA2BMEN1KMT2ABRD4
SCHEMBL8026931 0.77 ALDH1A1 (0.51) ALDH1A1ADORA2BPDE4APDE4BPDE4C
SCHEMBL7821710 0.75 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL7821875 0.75 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL7830570 0.75 TRPC5 (0.42) TRPC5ALDH1A1MEN1KMT2ABRD4
SCHEMBL7832039 0.74 TNF (0.40) TRPC5ALDH1A1TNF
SCHEMBL7834547 0.72 TSHR (0.44) ALDH1A1MEN1KMT2A

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-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed