SCHEMBL7653972

SCHEMBL7653972

O=S(=O)(Cl)c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.70
KCNH2 Q12809 4/20 0.67
HRH1 P35367 2/20 0.63
HRH2 P25021 1/20 0.60
ACHE P22303 1/20 0.57
RAD52 P43351 1/20 0.57
HRH4 Q9H3N8 1/20 0.57

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
SCHEMBL7675738 0.93 HRH3 (0.68) HRH3KCNH2HRH1
SCHEMBL7653222 0.92 HRH3 (0.68) HRH3KCNH2HRH1
SCHEMBL7653368 0.92 HRH3 (0.68) HRH3KCNH2HRH1
Hydrochloric Acid SCHEMBL7653978 0.86 HRH3 (0.70) HRH3KCNH2HRH1HRH2HRH4
SCHEMBL12050718 0.85 HRH3 (0.96) HRH3KCNH2HRH1HRH2HRH4
SCHEMBL12050645 0.83 HRH3 (1.00) HRH3KCNH2HRH1HRH2HRH4
SCHEMBL4094339 0.83 HRH3 (1.00) HRH3KCNH2HRH1HRH2HRH4
SCHEMBL7006365 0.83 HRH3 (0.76) HRH3KCNH2HRH1HRH2
SCHEMBL4098597 0.82 HRH3 (0.84) HRH3KCNH2HRH1HRH2ACHE
SCHEMBL7682850 0.81 CA12 (0.70) HRH3KCNH2HRH1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed