SCHEMBL7833520

SCHEMBL7833520

C[Si](C)(C)CCOCn1ccc(=O)n(CCCCl)c1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
DUT P33316 1/20 0.33
NPC1 O15118 1/20 0.32
ADORA2B P29275 1/20 0.31
ADORA2A P29274 1/20 0.31
MAPT P10636 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
SCHEMBL7830614 0.79 DGAT1 (0.36) DGAT1NPC1ADORA2BADORA2A
SCHEMBL7835528 0.79 DGAT1 (0.37) DGAT1NPC1ADORA2BADORA2AMAPT
SCHEMBL7833747 0.78 DGAT1 (0.36) DGAT1NPC1ADORA2BADORA2AMAPT
SCHEMBL7832680 0.77 DGAT1 (0.35) DGAT1NPC1ADORA2BADORA2AMAPT
SCHEMBL7821630 0.76 NPC1 (0.34) DGAT1NPC1ADORA2BADORA2A
SCHEMBL200911 0.69 NPC1 (0.41) DGAT1DUTNPC1
SCHEMBL29341474 0.69 DUT (0.38) DGAT1DUTNPC1
SCHEMBL7830409 0.69 MAPK14 (0.44) NPC1ADORA2B
SCHEMBL29341472 0.69 DGAT1 (0.40) DGAT1DUTNPC1
SCHEMBL7821648 0.68 DUT (0.63) DUT

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