SCHEMBL3983565

SCHEMBL3983565

CCC[C@H](N)c1ccccc1I

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
AOC3 Q16853 2/20 0.33
CFD P00746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
IDO1 P14902 2/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
KCNH2 Q12809 1/20 0.31
CSNK1E P49674 1/20 0.30

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
SCHEMBL21585125 1.00 FFAR1 (0.36) FFAR1GPR84AOC3CFDTAAR1
SCHEMBL3680376 0.85 AOC3 (0.38) FFAR1GPR84AOC3CFDTAAR1
SCHEMBL1851523 0.83 TSHR (0.38) GPR84TAAR1IDO1TSHRCYP3A4
SCHEMBL20913743 0.83 TSHR (0.38) GPR84TAAR1IDO1TSHRCYP3A4
SCHEMBL20844826 0.82 CFD (0.45) CFD
Phosphine SCHEMBL11698643 0.78 FFAR1 (0.37) FFAR1GPR84AOC3TSHRCYP3A4
SCHEMBL5185556 0.78 AOC3 (0.34) FFAR1GPR84AOC3CFDTSHR
SCHEMBL9439770 0.78 ALDH1A1 (0.41) FFAR1GPR84AOC3CFDTSHR
SCHEMBL15295186 0.78 ESR1 (0.43) AOC3TAAR1TSHRSLC6A2SLC6A4
SCHEMBL15295134 0.78 ESR1 (0.43) AOC3TAAR1TSHRSLC6A2SLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069320-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES Teva Pharmaceutical Industries Ltd. (IL) 2009-06-17 EP claimed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO claimed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO claimed
EP-2069320-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES Teva Pharmaceutical Industries Ltd. (IL) 2009-06-17 EP disclosed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO disclosed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO disclosed