SCHEMBL9769671

SCHEMBL9769671

CC(C)Cc1sc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.75
ADRA2B P18089 6/20 0.75
ADRA2C P18825 6/20 0.75
ADRA1D P25100 6/20 0.75
ADRA1A P35348 6/20 0.75
ADRA1B P35368 6/20 0.75
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ASIC3 Q9UHC3 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL9382147 0.99 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8605175 0.86 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380820 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380512 0.85 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6661626 0.85 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536107 0.85 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9377952 0.85 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480354 0.84 ADRA1D (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379609 0.84 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9384136 0.84 ADRA2A (0.77) 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
US-5006521-A α-adrenergic receptor antagonists and methods of use thereas SMITHKLINE BEECHAM CORPORATION (US) 1991-04-09 US disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed