SCHEMBL21142126

SCHEMBL21142126

OSc1ccc(O[C@@H]2CCc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
FFAR1 O14842 4/20 0.49
HTR6 P50406 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CYP11B2 P19099 1/20 0.37
GFRA2 O00451 1/20 0.37
GFRA3 O60609 1/20 0.37
PDPK1 O15530 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 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
SCHEMBL8529487 0.83 IDO1 (0.54) IDO1FFAR1CYP11B2GFRA2GFRA3
SCHEMBL12017975 0.82 IDO1 (0.61) IDO1FFAR1DDB1CRBNCYP11B2
SCHEMBL21142124 0.80 IDO1 (0.54) IDO1FFAR1CYP11B2GFRA2GFRA3
SCHEMBL12320928 0.80 IDO1 (0.54) IDO1FFAR1DDB1CRBNCYP11B2
SCHEMBL12320501 0.79 IDO1 (0.50) IDO1FFAR1
SCHEMBL1746407 0.77 FFAR1 (0.60) IDO1FFAR1
SCHEMBL12320190 0.76 FFAR1 (0.52) IDO1FFAR1DDB1CRBNCYP11B2
SCHEMBL1746615 0.74 FFAR1 (0.60) IDO1FFAR1GFRA2GFRA3
SCHEMBL8530467 0.73 IDO1 (0.50) IDO1FFAR1GFRA2GFRA3
SCHEMBL1745291 0.72 MAPK1 (0.63) IDO1FFAR1

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-2887964-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2019-07-03 EP disclosed