SCHEMBL9536282

SCHEMBL9536282

CN1CCc2c(Cl)cc(Cl)c3sc(CN(Cc4ccccc4)C(=O)OCc4ccccc4)c(c23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TMEM97 Q5BJF2 6/20 0.35
SIGMAR1 Q99720 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
MAPT P10636 1/20 0.34
ADORA1 P30542 2/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
SLC6A4 P31645 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
SCHEMBL9534803 0.82 KAT2B (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535666 0.81 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534287 0.74 ADORA1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534812 0.70 ADRA1D (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535741 0.70 TMEM97 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533864 0.69 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380954 0.69 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9379531 0.68 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535778 0.67 KAT2B (0.39) TMEM97SIGMAR1ADORA1
SCHEMBL27364470 0.67 CCR6 (0.55) L3MBTL1MAPT

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