SCHEMBL8828665

SCHEMBL8828665

CN(C)C(=O)c1ccccc1NCCCOS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NR3C1 P04150 1/20 0.44
GLA P06280 1/20 0.42
POLB P06746 1/20 0.39
CXCR2 P25025 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL8828558 0.80 KAT2B (0.38) NR3C1CXCR2
SCHEMBL8828501 0.78 ADRA1D (0.50) ADRA1DADRA1AADRA1BKDM4EHSD17B10
SCHEMBL28454558 0.76 ADRA1A (0.53) ADRA1DADRA1AADRA1BKDM4EHSD17B10
SCHEMBL28455283 0.73 ADRA1D (0.56) ADRA1DADRA1AADRA1BKDM4ESMN1; SMN2
SCHEMBL27614595 0.69 HPGD (0.56) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL13686035 0.69 TERT (0.50) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL29212431 0.69 ADRA1D (0.52) ADRA1DADRA1AADRA1BKDM4EHSD17B10
SCHEMBL8343253 0.67 POLB (0.58) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL21939459 0.67 ALDH1A1 (0.41) ADRA1DADRA1AADRA1BKDM4EHSD17B10
SCHEMBL11497416 0.65 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US 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