SCHEMBL1120837

SCHEMBL1120837

CCc1[nH]c2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc2c1C(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.38
ADRB3 P13945 4/20 0.36
ADRA1A P35348 4/20 0.36
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
AR P10275 2/20 0.35
MCL1 Q07820 2/20 0.33

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
SCHEMBL1120806 0.92 NR3C1 (0.40) NR3C1ADRB3ADRA1APGRNR3C2
SCHEMBL1120793 0.87 NR3C1 (0.39) NR3C1ADRB3ADRA1APGRNR3C2
SCHEMBL6665773 0.84 NR3C1 (0.37) NR3C1ADRB3ADRA1APGRNR3C2
SCHEMBL4486735 0.82 NR3C1 (0.40) NR3C1PGRNR3C2AR
SCHEMBL1120802 0.82 NR3C1 (0.38) NR3C1PGRNR3C2ARMCL1
SCHEMBL4484191 0.81 NR3C1 (0.37) NR3C1PGRNR3C2AR
SCHEMBL1120832 0.81 MCL1 (0.40) NR3C1MCL1
SCHEMBL1120796 0.81 NR3C1 (0.43) NR3C1PGRNR3C2ARMCL1
SCHEMBL1120828 0.81 NR3C1 (0.41) NR3C1PGRNR3C2ARMCL1
Hydrochloric Acid SCHEMBL1120842 0.80 NR3C1 (0.43) NR3C1PGRNR3C2ARMCL1

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
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP claimed
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed