SCHEMBL15060597

SCHEMBL15060597

CCc1ccc(-c2ccccc2OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.49
▸ ALOX5AP P20292 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ UGCG Q16739 3/20 0.44
▸ DRD1 P21728 7/20 0.43
▸ AR P10275 2/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ PTPRC P08575 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39

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
SCHEMBL13017121 0.84 ALOX5AP (0.47) SCN9AALOX5APFEN1UGCGDRD1
SCHEMBL9069797 0.81 ALOX5AP (0.55) SCN9AALOX5APFEN1UGCGDRD1
SCHEMBL15060598 0.81 ALOX5AP (0.44) SCN9AALOX5APFEN1UGCG
SCHEMBL11673547 0.76 NAAA (0.50) HTR7PTPRC
SCHEMBL26509879 0.75 TP53 (0.41) DRD1ADRB2HTR7PTPRCRXRA
SCHEMBL7368168 0.75 CNR2 (0.51) AR
SCHEMBL11021709 0.74 ADRB2 (0.47) ADRB2HTR7
SCHEMBL28288419 0.73 MAPT (0.52) SCN9AALOX5APFEN1PTPRC
SCHEMBL5413155 0.73 L3MBTL1 (0.55) AR
SCHEMBL11022152 0.73 TP53 (0.54) ALOX5APFEN1ADRB2HTR7

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
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
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