SCHEMBL16685007

SCHEMBL16685007

CNC(=O)c1cccc2c1C(CC(F)(F)F)CN2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ ADRA1A P35348 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1B P35368 1/20 0.34

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
SCHEMBL16684943 0.86 HPGD (0.41) GAAADRA1APOLBADRA1DADRA1B
SCHEMBL16684946 0.85 ALOX5 (0.37) PDK2POLB
SCHEMBL16684794 0.84 KDM4E (0.33) —
SCHEMBL16685117 0.73 HTR2A (0.38) —
SCHEMBL16684950 0.69 DRD2 (0.41) LMNAPOLB
SCHEMBL16685002 0.64 ALOX5 (0.39) PDK2LMNAPOLB
SCHEMBL19962170 0.62 PLK1 (0.59) GAAPDK2PLK1
SCHEMBL18176054 0.62 PLK1 (0.50) GAAADRA1AADRA2APDK2PLK1
SCHEMBL21268576 0.61 ALDH1A1 (0.38) —
SCHEMBL16684902 0.61 ALOX5 (0.43) LMNAPOLB

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
WO-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO disclosed
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