SCHEMBL17980174

SCHEMBL17980174

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cc(F)ccc1CCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ APP P05067 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL15500342 0.90 ALOX5AP (0.46) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL17980005 0.87 ALOX5AP (0.46) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL17980166 0.87 ALOX5AP (0.45) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL17979996 0.85 ALOX5AP (0.47) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL2259269 0.84 ALOX5AP (0.49) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL2199003 0.83 CHRNB4 (0.49) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL12431647 0.83 CHRNB4 (0.49) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL2200803 0.79 ALOX5AP (0.50) ALOX5APFEN1F2RL3OPRD1
SCHEMBL17980114 0.79 GPR119 (0.41) ALOX5APFEN1APPHTR1AADRA2A
SCHEMBL17980177 0.78 ALDH1A1 (0.40) APPHTR1AADRA2ADRD2ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256466-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS Sunovion Pharmaceuticals Inc. (US) 2017-12-20 — — EP disclosed
WO-2016130796-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2016-08-18 — — WO disclosed
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