SCHEMBL16684943

SCHEMBL16684943

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAOB P27338 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
SCHEMBL16685007 0.86 GAA (0.37) POLBADRA1DADRA1AADRA1BGAA
SCHEMBL16684794 0.80 KDM4E (0.33) HPGDKDM4E
SCHEMBL16684908 0.72 POLB (0.35) ALDH1A1POLBTSHRHTTKDM4E
SCHEMBL16685117 0.69 HTR2A (0.38) —
SCHEMBL16685133 0.69 DRD2 (0.42) —
SCHEMBL16684950 0.68 DRD2 (0.41) POLBTSHRKDM4E
SCHEMBL16691526 0.66 HTR2C (0.59) ALDH1A1KDM4E
SCHEMBL16691502 0.66 HTR2C (0.59) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16687125 0.66 HTR2C (0.58) ALDH1A1KDM4E
SCHEMBL16684897 0.66 CCKBR (0.39) —

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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