SCHEMBL4484191

SCHEMBL4484191

CCC(C(=O)O)c1c(-c2ccccc2)sc2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.37
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
AR P10275 2/20 0.35
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MCHR1 Q99705 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL4477332 0.87 NR3C1 (0.36) NR3C1PGRNR3C2ARESR1
SCHEMBL4513404 0.85 NR3C1 (0.39) NR3C1PGRNR3C2ARESR1
SCHEMBL4487265 0.83 NR3C1 (0.41) NR3C1PGRNR3C2AR
SCHEMBL1120806 0.82 NR3C1 (0.40) NR3C1PGRNR3C2AR
SCHEMBL4486735 0.82 NR3C1 (0.40) NR3C1PGRNR3C2AR
SCHEMBL1120837 0.81 NR3C1 (0.38) NR3C1PGRNR3C2AR
SCHEMBL4484189 0.77 ADRB3 (0.55) DRD2DRD3
SCHEMBL1120802 0.74 NR3C1 (0.38) NR3C1PGRNR3C2AR
SCHEMBL1120907 0.73 ESR1 (0.41) NR3C1ESR1ESR2
SCHEMBL1120793 0.72 NR3C1 (0.39) 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