SCHEMBL1120884

SCHEMBL1120884

CCn1c(C)c(C(=O)O)c2ccc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NR3C1 P04150 14/20 0.40
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
AR P10275 2/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35

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 0.89 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120919 0.88 NR3C1 (0.42) NR3C1PGRNR3C2AR
SCHEMBL1120883 0.84 NR3C1 (0.41) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120816 0.83 NR3C1 (0.41) NR3C1PGRNR3C2AR
SCHEMBL1120828 0.82 NR3C1 (0.41) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120878 0.81 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL5430641 0.81 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL1120796 0.78 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120842 0.78 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL4484871 0.78 KDM4E (0.44) KDM4ENR3C1POLBPGRNR3C2

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