SCHEMBL15060594

SCHEMBL15060594

CCc1cnc(-c2ccccc2OC(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.48
▸ FEN1 P39748 3/20 0.48
▸ RORC P51449 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.44
▸ SCN9A Q15858 5/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MPL P40238 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL13017170 0.85 ALOX5AP (0.48) ALOX5APFEN1RORCGPR84SCN9A
SCHEMBL266175 0.80 RORC (0.54) ALOX5APFEN1RORCGPR84SCN9A
SCHEMBL15060604 0.72 CYP1A2 (0.45) ALOX5APFEN1HSD11B1ABL1CNR2
SCHEMBL14744175 0.72 ALOX5AP (0.51) ALOX5APFEN1RORCGPR84SCN9A
SCHEMBL13017150 0.71 RORC (0.49) ALOX5APFEN1RORCGPR84SCN9A
SCHEMBL8230055 0.70 GRM5 (0.52) ALOX5APFEN1GPR84SCN9AHSD11B1
SCHEMBL27955785 0.70 HSD11B1 (0.50) ALOX5APFEN1SCN9AHSD11B1TRPA1
SCHEMBL7701143 0.70 ALDH1A1 (0.50) ALOX5APFEN1SCN9AHSD11B1FFAR4
SCHEMBL14744389 0.69 RORC (0.45) ALOX5APFEN1RORCSCN9AMETAP2
SCHEMBL2553137 0.69 ABL1 (0.44) ALOX5APFEN1RORCSCN9AHSD11B1

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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