SCHEMBL12320173

SCHEMBL12320173

Fc1ccc(O[C@H]2CCc3ccccc32)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.51
IDO1 P14902 4/20 0.46
PIN1 Q13526 4/20 0.45
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL17090854 0.85 IDO1 (0.54) SLC6A4IDO1PIN1
SCHEMBL12320494 0.83 SLC6A4 (0.51) SLC6A4IDO1PIN1HTR2CHTR2B
SCHEMBL12320929 0.83 SLC6A4 (0.55) SLC6A4IDO1NPC1HTR2CHTR2B
SCHEMBL12320500 0.80 IDO1 (0.45) SLC6A4IDO1PIN1
SCHEMBL12320928 0.76 IDO1 (0.54) SLC6A4IDO1PIN1
SCHEMBL8635407 0.75 IDO1 (0.43) SLC6A4IDO1PIN1
SCHEMBL1746749 0.74 IDO1 (0.49) SLC6A4IDO1PIN1
SCHEMBL12320178 0.74 IDO1 (0.51) SLC6A4IDO1PIN1
SCHEMBL11234063 0.73 IDO1 (0.54) SLC6A4IDO1PIN1
SCHEMBL12320212 0.72 IDO1 (0.43) SLC6A4IDO1PIN1

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