SCHEMBL28314166

SCHEMBL28314166

CN(C)CCc1cc[c]cc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.56
HTR2A P28223 3/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
AOC3 Q16853 1/20 0.41
HTR1A P08908 4/20 0.39
MPO P05164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL746229 0.81 KDM4E (0.39) TAAR1HTR2AHRH3
SCHEMBL4680155 0.79 PRKCI (0.31) TAAR1
SCHEMBL28314168 0.77 TAAR1 (0.40) TAAR1HTR2AHTR2CHTR2BHTR1A
SCHEMBL7443632 0.76 TYR (0.43)
SCHEMBL28314165 0.75 HTR2A (0.46) HTR2AAOC3HTR1A
SCHEMBL7019662 0.75 TAAR1 (0.44) TAAR1HTR2AHTR2CHTR2BAOC3
SCHEMBL27670907 0.75 TAAR1 (0.30) TAAR1
SCHEMBL463162 0.74 TYR (0.43) HTR2AHTR2C
SCHEMBL63751 0.74
SCHEMBL28049282 0.73 FFAR1 (0.38) MPO

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
CN-110177796-A Novel quinolinone derivative and pharmaceutical composition for preventing or treating allergic diseases such as asthma or atopy comprising said quinolinone derivative as active ingredient 高丽大学校世宗产学协力团 2019-08-27 CN disclosed