SCHEMBL8927561

SCHEMBL8927561

CN1CCc2c(Cl)ccc3oc(Cn4cc(Cl)cn4)c(c23)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.54
ADRA2B P18089 5/20 0.54
ADRA2C P18825 5/20 0.54
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
HSD17B10 Q99714 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
Hydrochloric Acid SCHEMBL8927261 0.99 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8927246 0.89 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL8927538 0.88 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926400 0.81 ALDH1A1 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926751 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378713 0.79 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378965 0.79 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380276 0.78 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8927606 0.78 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533856 0.78 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599810-A ADMINISTERING IN TREATMENT OF BENIGN PROSTATIC HYPERTROPHY, PERIPHERAL VASCULAR DISEASE AND CONGESTIVE HEART FAILURE SMITHKLINE BEECHAM CORPORATION (US) 1997-02-04 US disclosed
EP-0684949-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-06 EP disclosed
EP-0684949-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-10-13 EP disclosed
WO-1994019354-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-09-01 WO disclosed