SCHEMBL7701751

SCHEMBL7701751

CC(NCC(O)c1ccc(NS(C)(=O)=O)cc1)Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.66
ADRB2 P07550 4/20 0.66
ADRB1 P08588 4/20 0.66
LMNA P02545 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
GLA P06280 1/20 0.64
BLM P54132 1/20 0.64
PGR P06401 1/20 0.49
NPC1 O15118 1/20 0.44
AR P10275 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1F O60840 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44

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
Sotalol SCHEMBL16407 0.80 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL6508618 0.80 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Dexsotalol SCHEMBL203209 0.80 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL29761416 0.80 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Dexsotalol SCHEMBL5661932 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL20575697 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL118761 0.79 ADRB3 (1.00) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL3127442 0.78 ADRB3 (0.94) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL1649808 0.78 ADRB3 (0.94) ADRB3ADRB2ADRB1LMNAKDM4E
Sotalol SCHEMBL3287528 0.78 ADRB3 (0.94) ADRB3ADRB2ADRB1LMNAKDM4E

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
EP-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP disclosed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US disclosed
US-4044150-A BETA-ADRENERGIC BLOCKING AGENT, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1977-08-23 US disclosed
US-4044150-A BETA-ADRENERGIC BLOCKING AGENT, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1977-08-23 US disclosed