SCHEMBL9656993

SCHEMBL9656993

CCCCN(CCCC)CCCCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.50
BCHE P06276 3/20 0.42
ACHE P22303 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9656081 0.99 HRH3 (0.51) HRH3BCHEACHEALDH1A1TP53
SCHEMBL9599491 0.96 HRH3 (0.54) HRH3
Hydrochloric Acid SCHEMBL9600032 0.95 HRH3 (0.53) HRH3
Hydrochloric Acid SCHEMBL9599538 0.94 HRH3 (0.50) HRH3ALDH1A1TP53TSHRMAPK1
Hydrochloric Acid SCHEMBL9598375 0.94 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL10337873 0.91 HRH3 (0.50) HRH3BCHEACHE
Hydrochloric Acid SCHEMBL9656561 0.91 HRH3 (0.48) HRH3BCHEACHE
SCHEMBL9656112 0.87 HRH3 (0.48) HRH3BCHEACHEALDH1A1TP53
Oxalic Acid SCHEMBL9599094 0.87 HRH3 (0.48) HRH3BCHEACHE
Oxalic Acid SCHEMBL9598423 0.87 HRH3 (0.48) HRH3BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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