SCHEMBL28820124

SCHEMBL28820124

COc1ccnc(OCCC(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.41
▸ GRIN1 Q05586 5/20 0.41
▸ GRIN2B Q13224 5/20 0.41
▸ TXNRD1 Q16881 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ LOX P28300 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ TAAR1 Q96RJ0 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
SCHEMBL28020336 0.83 RXRA (0.46) RXRAGRIN1GRIN2BMTNR1AMTNR1B
SCHEMBL30721403 0.81 LOX (0.40) RXRAGRIN1GRIN2BMTNR1AMTNR1B
SCHEMBL30637349 0.80 RXRA (0.40) RXRAGRIN1GRIN2BMCHR1ACACB
SCHEMBL28020288 0.80 MAPK8 (0.42) RXRAGRIN1GRIN2BMTNR1AMTNR1B
SCHEMBL28020330 0.80 TSHR (0.38) RXRAGRIN1GRIN2BMTNR1AMTNR1B
SCHEMBL16815476 0.77 L3MBTL1 (0.38) RXRAGRIN1GRIN2BHTR2AMCHR1
SCHEMBL21159770 0.77 MCHR1 (0.50) RXRAGRIN1GRIN2BMCHR1ALOX5AP
SCHEMBL28820177 0.75 TAAR1 (0.39) RXRAGRIN1GRIN2BMTNR1AMTNR1B
SCHEMBL29520064 0.74 CCR1 (0.41) RXRAGRIN1GRIN2BTXNRD1MTNR1A
SCHEMBL12015 0.74 CCR1 (0.41) RXRAGRIN1GRIN2BTXNRD1MTNR1A

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
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 — — CN disclosed
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