SCHEMBL7833448

SCHEMBL7833448

O=C(Nc1ccccc1N1CCNCC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.50
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BACE1 P56817 3/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5104674 0.85 NPSR1 (0.63) GAANPSR1MEN1MAPK1KMT2A
SCHEMBL1646808 0.82 CHEK1 (0.55) CHEK1
SCHEMBL7537046 0.81 CHEK1 (0.54) CHEK1NPSR1L3MBTL1
SCHEMBL3070911 0.81 NPSR1 (0.65) GAANPSR1MEN1MAPK1KMT2A
SCHEMBL8918450 0.79 EPHX2 (0.56) CHEK1GAAMAPK1
SCHEMBL5563711 0.78 SMN1; SMN2 (0.72) CHEK1GAANPSR1MEN1MAPK1
SCHEMBL1646812 0.78 NPSR1 (0.51) CHEK1GAANPSR1L3MBTL1
SCHEMBL6991512 0.78 CHEK1 (0.49) CHEK1GAANPSR1MEN1MAPK1
SCHEMBL4078674 0.78 GAA (0.44) GAANPSR1MEN1MAPK1KMT2A
SCHEMBL5558994 0.77 POLB (0.66) CHEK1GAANPSR1MEN1MAPK1

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 5 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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 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
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed