SCHEMBL9535318

SCHEMBL9535318

CN1CCc2c(Cl)cc(Cl)c3sc(CNS(=O)(=O)/C=C/c4ccccc4)c(c23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.39
ADRA2A P08913 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
F10 P00742 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTR6 P50406 3/20 0.34
HRH1 P35367 2/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
CDYL Q9Y232 1/20 0.33
OPRM1 P35372 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
SCHEMBL9535323 1.00 ADRA1A (0.39) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9534646 0.88 KMT2A (0.38) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9534638 0.88 KMT2A (0.38) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9535598 0.86 ADRA1D (0.56) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9535603 0.86 ADRA1D (0.56) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9536315 0.80 HTR6 (0.41) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9536312 0.80 HTR6 (0.41) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9536308 0.80 ADRA2A (0.42) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9533677 0.80 ADRA2A (0.42) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL9533895 0.76 ADRA2A (0.47) ADRA1AADRA2AADRA1DADRA1BADRA2B

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 3 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 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