SCHEMBL9598570

SCHEMBL9598570

CCN(CC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.42
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL8234726 0.93 HRH3 (0.46) HRH3DRD2DRD3ALDH1A1SMN1; SMN2
SCHEMBL8229020 0.93 HRH3 (0.51) HRH3DRD2DRD3
Hydrochloric Acid SCHEMBL9656222 0.92 HRH3 (0.49) HRH3
SCHEMBL8234535 0.92 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8237539 0.92 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2
SCHEMBL9656112 0.90 HRH3 (0.48) HRH3ALDH1A1TP53TSHRMAPK1
SCHEMBL9598438 0.90 CACNA1B (0.43) HRH3ALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL9598319 0.89 HRH3 (0.47) HRH3BCHEACHE
Oxalic Acid SCHEMBL9599573 0.89 HRH3 (0.43) HRH3ALDH1A1SMN1; SMN2BCHEACHE
SCHEMBL4171578 0.88 HRH3 (0.37) HRH3ALDH1A1TP53TSHRMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed