SCHEMBL9533714

SCHEMBL9533714

CN1CCc2c(Cl)ccc3sc(CNS(=O)(=O)CCc4ccccc4)c(c23)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.57
ADRA1D P25100 4/20 0.57
ADRA1B P35368 4/20 0.57
ADRA2A P08913 4/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
ADORA1 P30542 2/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR1A P08908 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1B P28222 1/20 0.35
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9534502 0.92 ADRA2A (0.56) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9534446 0.85 ADRA1D (0.61) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9533949 0.83 ADRA1D (0.61) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9533257 0.81 ADRA2A (0.57) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9535598 0.81 ADRA1D (0.56) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9535603 0.81 ADRA1D (0.56) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9536017 0.80 ADRA2A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9533864 0.77 ADRA2A (0.56) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9535724 0.77 ADRA2A (0.61) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL9533861 0.76 ADRA2A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B

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
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP claimed
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed