SCHEMBL9536633

SCHEMBL9536633

CC(CNS(=O)(=O)c1ccccc1)c1oc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
HTR6 P50406 5/20 0.43
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR7 P34969 3/20 0.38
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9538620 0.86 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534202 0.83 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534509 0.80 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535723 0.78 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378219 0.74 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534446 0.73 ADRA1D (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10466707 0.72 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533960 0.71 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535348 0.71 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL10480281 0.71 ADRA2A (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed