SCHEMBL9533916

SCHEMBL9533916

CN1CCc2ccc(Cl)c3sc(CN)c(c23)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
ASIC3 Q9UHC3 3/20 0.45
PNMT P11086 8/20 0.39
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9378841 0.87 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534812 0.81 ADRA1D (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536107 0.78 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9534711 0.77 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380036 0.77 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534888 0.73 PRMT5 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534646 0.73 KMT2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534638 0.73 KMT2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9377088 0.73 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535741 0.73 TMEM97 (0.42) 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