SCHEMBL3983284

SCHEMBL3983284

C[C@](N)(I)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.44
CYP3A4 P08684 3/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
CYP2D6 P10635 2/20 0.43
KCNH2 Q12809 2/20 0.43
PTPN1 P18031 2/20 0.43
CYP2A6 P11509 6/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 4/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HTR2A P28223 1/20 0.36
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
SCHEMBL3984307 1.00 CASR (0.44) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9274665 0.83 CASR (0.46) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL19718548 0.83 PTPN1 (0.46) CASRCYP3A4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL12802175 0.81 CASR (0.45) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL27508894 0.79 CASR (0.51) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4069694 0.79 CASR (0.44) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL599567 0.78 PTPN1 (0.48) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL30222062 0.78 PTPN1 (0.48) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL28297057 0.78 PTPN1 (0.48) CASRCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL24760389 0.76 CYP3A4 (0.44) CASRCYP3A4SLC6A2SLC6A4SLC6A3

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