SCHEMBL12320177

SCHEMBL12320177

Bc1cc(F)cc(F)c1O[C@H]1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
PIN1 Q13526 2/20 0.38
FFAR1 O14842 3/20 0.34
SLC6A4 P31645 3/20 0.34
PDPK1 O15530 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRCP P42785 1/20 0.33

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
SCHEMBL12320178 0.91 IDO1 (0.51) IDO1PIN1FFAR1SLC6A4PDPK1
SCHEMBL12320500 0.85 IDO1 (0.45) IDO1PIN1FFAR1SLC6A4PDPK1
SCHEMBL1746749 0.80 IDO1 (0.49) IDO1PIN1FFAR1SLC6A4PDPK1
SCHEMBL12320928 0.73 IDO1 (0.54) IDO1PIN1FFAR1SLC6A4PDPK1
SCHEMBL4261413 0.71 CCR2 (0.42) IDO1PIN1FFAR1
SCHEMBL1746491 0.71 FFAR1 (0.43) IDO1PIN1FFAR1
SCHEMBL4261410 0.71 CCR2 (0.42) IDO1PIN1FFAR1
SCHEMBL1745233 0.70 FFAR1 (0.40) IDO1PIN1FFAR1
SCHEMBL1745236 0.70 AKR1C3 (0.40) IDO1PIN1FFAR1
SCHEMBL12320494 0.69 SLC6A4 (0.51) IDO1PIN1SLC6A4

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