SCHEMBL7833747

SCHEMBL7833747

C[Si](C)(C)CCOCn1cc(F)c(=O)n(CCCCl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA2A P29274 1/20 0.32
NPC1 O15118 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
SCHEMBL7835528 0.87 DGAT1 (0.37) DGAT1MAPTPDE4APDE4BPDE4C
SCHEMBL7830614 0.87 DGAT1 (0.36) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL10479182 0.86 KMT2A (0.40) DGAT1KMT2AALDH1A1LMNAMEN1
SCHEMBL7832680 0.85 DGAT1 (0.35) DGAT1KMT2AALDH1A1LMNAMEN1
SCHEMBL7821630 0.84 NPC1 (0.34) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL10479196 0.81 KMT2A (0.39) DGAT1KMT2AALDH1A1LMNAMEN1
SCHEMBL10479241 0.79 KMT2A (0.37) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL7833520 0.78 DGAT1 (0.35) DGAT1MAPTADORA2BADORA2ANPC1
SCHEMBL10479252 0.69 LMNA (0.44) DGAT1KMT2ALMNAKDM4E
SCHEMBL7830021 0.68 NPC1 (0.32) ADORA2ANPC1

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