SCHEMBL9599491

SCHEMBL9599491

CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.54

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 SCHEMBL9600032 0.99 HRH3 (0.53) HRH3
SCHEMBL9656081 0.97 HRH3 (0.51) HRH3
SCHEMBL9656993 0.96 HRH3 (0.50) HRH3
Hydrochloric Acid SCHEMBL9599538 0.96 HRH3 (0.50) HRH3
Hydrochloric Acid SCHEMBL9598375 0.96 HRH3 (0.53) HRH3
Oxalic Acid SCHEMBL10337873 0.95 HRH3 (0.50) HRH3
Hydrochloric Acid SCHEMBL9656561 0.95 HRH3 (0.48) HRH3
Oxalic Acid SCHEMBL9598423 0.91 HRH3 (0.48) HRH3
Oxalic Acid SCHEMBL9599094 0.91 HRH3 (0.48) HRH3
Oxalic Acid SCHEMBL9598414 0.88 MEN1 (0.43) HRH3

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
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US claimed
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