SCHEMBL28820177

SCHEMBL28820177

CCOCCOc1nccc(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.39
▸ NCF1 P14598 4/20 0.37
▸ RXRA P19793 5/20 0.35
▸ GRIN1 Q05586 5/20 0.35
▸ GRIN2B Q13224 5/20 0.35
▸ LOX P28300 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ NUDT1 P36639 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ APP P05067 1/20 0.32

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
SCHEMBL28020330 0.84 TSHR (0.38) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL28020288 0.84 MAPK8 (0.42) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL30721403 0.79 LOX (0.40) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL16815714 0.76 KMT2A (0.40) NCF1GRM4
SCHEMBL28020379 0.76 TAAR1 (0.43) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL12015 0.76 CCR1 (0.41) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL29520064 0.76 CCR1 (0.41) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL28820124 0.75 RXRA (0.41) TAAR1RXRAGRIN1GRIN2BLOX
SCHEMBL16815723 0.75 RXRA (0.37) NCF1RXRAGRIN1GRIN2BGRM4
SCHEMBL18881729 0.74 NCF1 (0.40) NCF1GRM4

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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