SCHEMBL6665773

SCHEMBL6665773

CCc1[nH]c2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc2c1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.37
ADRB3 P13945 4/20 0.36
ADRA1A P35348 4/20 0.36
MCL1 Q07820 4/20 0.34
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
AR P10275 2/20 0.33
SCARB1 Q8WTV0 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL1120793 0.86 NR3C1 (0.39) NR3C1ADRB3ADRA1AMCL1PGR
SCHEMBL1120837 0.84 NR3C1 (0.38) NR3C1ADRB3ADRA1AMCL1PGR
SCHEMBL1120828 0.81 NR3C1 (0.41) NR3C1MCL1PGRNR3C2AR
SCHEMBL1120796 0.81 NR3C1 (0.43) NR3C1MCL1PGRNR3C2AR
SCHEMBL4635188 0.81 NR3C1 (0.40) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120842 0.80 NR3C1 (0.43) NR3C1MCL1PGRNR3C2AR
SCHEMBL1120902 0.80 NR3C1 (0.42) NR3C1MCL1PGRNR3C2AR
SCHEMBL1120832 0.80 MCL1 (0.40) NR3C1MCL1
SCHEMBL1120843 0.79 GPR17 (0.42) NR3C1MCL1PGRNR3C2AR
SCHEMBL1120806 0.79 NR3C1 (0.40) NR3C1ADRB3ADRA1AMCL1PGR

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
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP claimed