SCHEMBL3708451

SCHEMBL3708451

Nc1ccc(CCc2ccccc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
MAOA P21397 5/20 0.54
CYP19A1 P11511 1/20 0.47
HTR2A P28223 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PLAU P00749 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL4301346 0.84 MAOB (0.54) MAOBMAOACYP19A1HTR2ATAAR1
SCHEMBL6682241 0.81 TAAR1 (0.54) MAOBTAAR1CYP2A6ALDH1A1
SCHEMBL28390632 0.81 MAOB (0.60) MAOBMAOACYP19A1HTR2ATAAR1
SCHEMBL16191225 0.81 HTT (0.51) MAOBMAOAHTR2ATAAR1CYP2A6
SCHEMBL30963236 0.79 TSHR (0.54) MAOBMAOASMN1; SMN2ALDH1A1FFAR4
SCHEMBL30963244 0.79 TSHR (0.54) MAOBMAOASMN1; SMN2ALDH1A1FFAR4
SCHEMBL23413337 0.78 ALDH1A1 (0.46) MAOAHTR2ATAAR1CYP2A6ALDH1A1
SCHEMBL12021475 0.78 KDM4E (0.47) TAAR1ALDH1A1
SCHEMBL20226499 0.78 SKP2 (0.48) TAAR1SMN1; SMN2ALDH1A1
SCHEMBL20226583 0.77 ALDH1A1 (0.42) CYP19A1TAAR1ALDH1A1

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed