SCHEMBL12320928

SCHEMBL12320928

Fc1ccc(O[C@H]2CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
FFAR1 O14842 4/20 0.49
PRCP P42785 1/20 0.44
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP11B2 P19099 1/20 0.40
PIN1 Q13526 2/20 0.40
PDPK1 O15530 1/20 0.39
HTR5A P47898 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
Hydrochloric Acid SCHEMBL8637973 0.88 FFAR1 (0.49) IDO1FFAR1PIN1
SCHEMBL12017975 0.86 IDO1 (0.61) IDO1FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21142124 0.83 IDO1 (0.54) IDO1FFAR1PRCPSLC6A2SLC6A4
SCHEMBL8529487 0.83 IDO1 (0.54) IDO1FFAR1CYP11B2PIN1PDPK1
SCHEMBL11335277 0.82 SIGMAR1 (0.51) IDO1FFAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11571081 0.81 SIGMAR1 (0.50) IDO1FFAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11571088 0.81 SIGMAR1 (0.50) IDO1FFAR1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11571085 0.81 SIGMAR1 (0.50) IDO1FFAR1HTR1ASLC6A2SLC6A4
SCHEMBL21142126 0.80 IDO1 (0.50) IDO1FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12320190 0.80 FFAR1 (0.52) IDO1FFAR1CYP11B2PDPK1GPR84

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-2368876-A1 Derivatives of aminoindanes, their preparation and their application in therapeutics SANOFI (FR) 2011-09-28 EP disclosed