SCHEMBL4486735

SCHEMBL4486735

CCC(C(=O)O)c1c(C)oc2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.40
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
AR P10275 2/20 0.37
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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 0.85 NR3C1 (0.40) NR3C1PGRNR3C2AR
SCHEMBL4484186 0.84 NR3C1 (0.42) NR3C1PGRNR3C2ARACHE
SCHEMBL4635188 0.83 NR3C1 (0.40) NR3C1PGRNR3C2ARACHE
SCHEMBL1120837 0.82 NR3C1 (0.38) NR3C1PGRNR3C2AR
SCHEMBL4484871 0.82 KDM4E (0.44) NR3C1PGRNR3C2ARACHE
SCHEMBL4484191 0.82 NR3C1 (0.37) NR3C1PGRNR3C2AR
SCHEMBL1120802 0.76 NR3C1 (0.38) NR3C1PGRNR3C2AR
SCHEMBL4486734 0.75 ADRB3 (0.59)
SCHEMBL1120796 0.75 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL1120828 0.75 NR3C1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed