SCHEMBL9535559

SCHEMBL9535559

CCOC(=O)NCc1sc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.64
ADRA2B P18089 3/20 0.64
ADRA2C P18825 3/20 0.64
ADRA1D P25100 3/20 0.64
ADRA1A P35348 3/20 0.64
ADRA1B P35368 3/20 0.64
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL9533864 0.88 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533309 0.87 ADRA1D (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380454 0.83 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535724 0.82 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380490 0.82 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536086 0.81 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535620 0.81 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6661600 0.80 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL6660045 0.79 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8605175 0.79 ADRA2A (1.00) 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 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