SCHEMBL1120883

SCHEMBL1120883

CCn1c(C(=O)O)c(C)c2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.41
PGR P06401 2/20 0.38
NR3C2 P08235 2/20 0.38
AR P10275 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIK2 Q13002 1/20 0.36

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
SCHEMBL1120895 0.94 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120919 0.93 NR3C1 (0.42) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120816 0.87 NR3C1 (0.41) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120878 0.85 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL5430641 0.84 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL1120884 0.84 KDM4E (0.40) NR3C1PGRNR3C2AR
SCHEMBL1120782 0.80 NR3C1 (0.39) NR3C1PGRNR3C2AR
SCHEMBL1120929 0.80 KDM4E (0.45) NR3C1PGRNR3C2ARSMN1; SMN2
SCHEMBL1120796 0.78 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL4484871 0.78 KDM4E (0.44) NR3C1PGRNR3C2AR

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